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 131.9
[M+Na]+ 173.09368 143.5
[M-H]- 149.09718 138.2
[M+NH4]+ 168.13828 152.1
[M+K]+ 189.06762 141.2
[M+H-H2O]+ 133.10172 127.6
[M+HCOO]- 195.10266 153.1
[M+CH3COO]- 209.11831 182.6
[M+Na-2H]- 171.07913 138.6
[M]+ 150.10391 135.4
[M]- 150.10501 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.