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

23
Patents

150.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.9
[M+Na]+ 173.093678 143.5
[M-H]- 149.097184 138.2
[M+NH4]+ 168.138283 152.1
[M+K]+ 189.067618 141.2
[M+H-H2O]+ 133.101720 127.6
[M+HCOO]- 195.102661 153.1
[M+CH3COO]- 209.118311 182.6
[M+Na-2H]- 171.079126 138.6
[M]+ 150.10391142 135.4
[M]- 150.10500858 135.4
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.