CID 61359

4395-92-0

Structural Information

Molecular Formula
C11H14O
SMILES
CC(C)C1=CC=C(C=C1)CC=O
InChI
InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
InChIKey
FSKGFRBHGXIDSA-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

1871
Patents

162.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 134.3
[M+Na]+ 185.093678 141.9
[M-H]- 161.097184 138.1
[M+NH4]+ 180.138283 155.4
[M+K]+ 201.067618 140.0
[M+H-H2O]+ 145.101720 128.9
[M+HCOO]- 207.102661 157.8
[M+CH3COO]- 221.118311 180.5
[M+Na-2H]- 183.079126 139.7
[M]+ 162.10391142 135.5
[M]- 162.10500858 135.5
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