CID 3016187

4-cyclopentylbenzaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC(C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H14O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-9,11H,1-4H2
InChIKey
PYEFFBOZWVJKEU-UHFFFAOYSA-N
Compound name
4-cyclopentylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

174.10446 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe