CID 60990

2-(4-methylphenyl)propanal

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=CC=C(C=C1)C(C)C=O
InChI
InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3
InChIKey
JTZWVKUZBNHSSW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

239
Patents

148.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 129.6
[M+Na]+ 171.078038 137.6
[M-H]- 147.081544 133.5
[M+NH4]+ 166.122643 151.2
[M+K]+ 187.051978 136.0
[M+H-H2O]+ 131.086080 124.3
[M+HCOO]- 193.087021 153.3
[M+CH3COO]- 207.102671 177.5
[M+Na-2H]- 169.063486 135.5
[M]+ 148.08827142 130.4
[M]- 148.08936858 130.4
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