CID 11095124

1-phenylcyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC(C1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKey
KZCVVVIPPHGCOH-UHFFFAOYSA-N
Compound name
1-phenylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

174.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 138.5
[M+Na]+ 197.093678 145.2
[M-H]- 173.097184 145.0
[M+NH4]+ 192.138283 162.1
[M+K]+ 213.067618 142.4
[M+H-H2O]+ 157.101720 132.6
[M+HCOO]- 219.102661 162.0
[M+CH3COO]- 233.118311 177.4
[M+Na-2H]- 195.079126 144.1
[M]+ 174.10391142 135.8
[M]- 174.10500858 135.8
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

patents stripe