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
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 159.8
[M+Na]+ 269.18758 168.3
[M-H]- 245.19108 164.5
[M+NH4]+ 264.23218 189.3
[M+K]+ 285.16152 163.9
[M+H-H2O]+ 229.19562 156.5
[M+HCOO]- 291.19656 176.3
[M+CH3COO]- 305.21221 197.8
[M+Na-2H]- 267.17303 161.5
[M]+ 246.19781 159.8
[M]- 246.19891 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.