CID 10749755

3-cyclopentylbenzaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC(C1)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C12H14O/c13-9-10-4-3-7-12(8-10)11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2
InChIKey
RXDIRVUNKJIMCU-UHFFFAOYSA-N
Compound name
3-cyclopentylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

174.10446 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 137.7
[M+Na]+ 197.093678 144.4
[M-H]- 173.097184 144.2
[M+NH4]+ 192.138283 159.6
[M+K]+ 213.067618 141.5
[M+H-H2O]+ 157.101720 131.6
[M+HCOO]- 219.102661 161.2
[M+CH3COO]- 233.118311 179.0
[M+Na-2H]- 195.079126 141.7
[M]+ 174.10391142 135.1
[M]- 174.10500858 135.1
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