CID 92874

(-)-verbenone

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
InChIKey
DCSCXTJOXBUFGB-JGVFFNPUSA-N
Compound name
(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

136
References

5178
Patents

150.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 141.2
[M+Na]+ 173.09368 149.2
[M-H]- 149.09718 141.6
[M+NH4]+ 168.13828 162.9
[M+K]+ 189.06762 149.8
[M+H-H2O]+ 133.10172 133.8
[M+HCOO]- 195.10266 156.2
[M+CH3COO]- 209.11831 186.7
[M+Na-2H]- 171.07913 150.9
[M]+ 150.10391 154.2
[M]- 150.10501 154.2
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.