CID 96396

71172-79-7

Structural Information

Molecular Formula
C12H14O
SMILES
CC1=CC(=C(C=C1)C(=O)C2CC2)C
InChI
InChI=1S/C12H14O/c1-8-3-6-11(9(2)7-8)12(13)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3
InChIKey
CENWGMGAFRZWTJ-UHFFFAOYSA-N
Compound name
cyclopropyl-(2,4-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

174.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 134.9
[M+Na]+ 197.093678 144.8
[M-H]- 173.097184 143.0
[M+NH4]+ 192.138283 150.8
[M+K]+ 213.067618 141.8
[M+H-H2O]+ 157.101720 128.7
[M+HCOO]- 219.102661 158.5
[M+CH3COO]- 233.118311 186.4
[M+Na-2H]- 195.079126 139.8
[M]+ 174.10391142 137.9
[M]- 174.10500858 137.9
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