CID 44145692

Dtxsid10240758

Structural Information

Molecular Formula
C17H26O
SMILES
C[C@H]1CC[C@H]2[C@@]13CC=C([C@@H](C3)C2(C)C)CC(=O)C
InChI
InChI=1S/C17H26O/c1-11-5-6-15-16(3,4)14-10-17(11,15)8-7-13(14)9-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3/t11-,14+,15+,17+/m0/s1
InChIKey
PXXHMYGUMPKTPF-LDXOSZSPSA-N
Compound name
1-[(1R,2S,5R,7S)-2,6,6-trimethyl-8-tricyclo[5.3.1.01,5]undec-8-enyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 162.2
[M+Na]+ 269.187578 169.5
[M-H]- 245.191084 166.4
[M+NH4]+ 264.232183 189.7
[M+K]+ 285.161518 165.2
[M+H-H2O]+ 229.195620 158.3
[M+HCOO]- 291.196561 178.7
[M+CH3COO]- 305.212211 197.9
[M+Na-2H]- 267.173026 162.5
[M]+ 246.19781142 161.7
[M]- 246.19890858 161.7
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.