CID 11088612

2-cyclopentyl-2-phenylacetaldehyde

Structural Information

Molecular Formula
C13H16O
SMILES
C1CCC(C1)C(C=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-10-13(12-8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKey
MVTLVNSMHICGCS-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-phenylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

188.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 143.6
[M+Na]+ 211.10934 148.5
[M-H]- 187.11284 149.5
[M+NH4]+ 206.15394 164.4
[M+K]+ 227.08328 145.8
[M+H-H2O]+ 171.11738 137.0
[M+HCOO]- 233.11832 165.6
[M+CH3COO]- 247.13397 181.7
[M+Na-2H]- 209.09479 146.3
[M]+ 188.11957 140.3
[M]- 188.12067 140.3
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