CID 10057675

(1r,6s)-4,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=O)[C@@H]2[C@H](C1)C2(C)C
InChI
InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3/t7-,9-/m0/s1
InChIKey
WDILKLCBAXJFIA-CBAPKCEASA-N
Compound name
(1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

150.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.0
[M+Na]+ 173.09368 146.4
[M+NH4]+ 168.13828 143.7
[M+K]+ 189.06762 139.4
[M-H]- 149.09718 141.5
[M+Na-2H]- 171.07913 141.1
[M]+ 150.10391 138.1
[M]- 150.10501 138.1
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

No patent data available for this compound.