CID 5706770

(2e)-3-(2,4,6-trimethylphenyl)prop-2-enal

Structural Information

Molecular Formula
C12H14O
SMILES
CC1=CC(=C(C(=C1)C)/C=C/C=O)C
InChI
InChI=1S/C12H14O/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h4-8H,1-3H3/b5-4+
InChIKey
PBSWKUAPPIGTBQ-SNAWJCMRSA-N
Compound name
(E)-3-(2,4,6-trimethylphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 135.4
[M+Na]+ 197.093678 145.2
[M-H]- 173.097184 139.9
[M+NH4]+ 192.138283 156.8
[M+K]+ 213.067618 142.1
[M+H-H2O]+ 157.101720 130.4
[M+HCOO]- 219.102661 159.8
[M+CH3COO]- 233.118311 183.5
[M+Na-2H]- 195.079126 140.3
[M]+ 174.10391142 137.7
[M]- 174.10500858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.