CID 112801

Ethanone, 1-[(2s,4ar)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4a-methanonaphthalen-8-yl]-

Structural Information

Molecular Formula
C17H26O
SMILES
CC(=O)C1=C2[C@@]3(CC[C@@H](C3)C2(C)C)C(CC1)(C)C
InChI
InChI=1S/C17H26O/c1-11(18)13-7-8-15(2,3)17-9-6-12(10-17)16(4,5)14(13)17/h12H,6-10H2,1-5H3/t12-,17-/m0/s1
InChIKey
QXNVTDHRJFBHMW-SJCJKPOMSA-N
Compound name
1-[(1R,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

246.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 159.8
[M+Na]+ 269.187578 168.3
[M-H]- 245.191084 164.5
[M+NH4]+ 264.232183 189.3
[M+K]+ 285.161518 163.9
[M+H-H2O]+ 229.195620 156.5
[M+HCOO]- 291.196561 176.3
[M+CH3COO]- 305.212211 197.8
[M+Na-2H]- 267.173026 161.5
[M]+ 246.19781142 159.8
[M]- 246.19890858 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.