CID 91195

24545-81-1

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=O)C2(C1C2)C(C)C
InChI
InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3
InChIKey
LTTVJAQLCIHAFV-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

221
Patents

150.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.7
[M+Na]+ 173.093678 143.2
[M-H]- 149.097184 137.9
[M+NH4]+ 168.138283 153.3
[M+K]+ 189.067618 140.7
[M+H-H2O]+ 133.101720 128.1
[M+HCOO]- 195.102661 153.9
[M+CH3COO]- 209.118311 182.1
[M+Na-2H]- 171.079126 136.8
[M]+ 150.10391142 136.3
[M]- 150.10500858 136.3
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