CID 3016187

P-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

43
Patents

174.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 137.7
[M+Na]+ 197.09368 144.4
[M-H]- 173.09718 144.2
[M+NH4]+ 192.13828 159.6
[M+K]+ 213.06762 141.5
[M+H-H2O]+ 157.10172 131.6
[M+HCOO]- 219.10266 161.2
[M+CH3COO]- 233.11831 179.0
[M+Na-2H]- 195.07913 141.7
[M]+ 174.10391 135.1
[M]- 174.10501 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