CID 96397

71172-44-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.