CID 13510284

2-(2-methylphenyl)propanal

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=CC=CC=C1C(C)C=O
InChI
InChI=1S/C10H12O/c1-8-5-3-4-6-10(8)9(2)7-11/h3-7,9H,1-2H3
InChIKey
DWSXBFKYFXHHIL-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

148.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 129.6
[M+Na]+ 171.07804 137.6
[M-H]- 147.08154 133.5
[M+NH4]+ 166.12264 151.2
[M+K]+ 187.05198 136.0
[M+H-H2O]+ 131.08608 124.3
[M+HCOO]- 193.08702 153.3
[M+CH3COO]- 207.10267 177.5
[M+Na-2H]- 169.06349 135.5
[M]+ 148.08827 130.4
[M]- 148.08937 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