CID 62911

2-methyl-4-phenylbutanal

Structural Information

Molecular Formula
C11H14O
SMILES
CC(CCC1=CC=CC=C1)C=O
InChI
InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey
RLFLIPVJQTWXKR-UHFFFAOYSA-N
Compound name
2-methyl-4-phenylbutanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

128
Patents

162.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 135.3
[M+Na]+ 185.093678 141.9
[M-H]- 161.097184 138.7
[M+NH4]+ 180.138283 156.0
[M+K]+ 201.067618 140.0
[M+H-H2O]+ 145.101720 129.5
[M+HCOO]- 207.102661 158.7
[M+CH3COO]- 221.118311 179.4
[M+Na-2H]- 183.079126 141.3
[M]+ 162.10391142 136.1
[M]- 162.10500858 136.1
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