CID 65724

(+)-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+/m1/s1
InChIKey
DCSCXTJOXBUFGB-SFYZADRCSA-N
Compound name
(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

134
References

5133
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

literature stripe

Patent stripe

patents stripe