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]+ 175.11174 135.4
[M+Na]+ 197.09368 145.2
[M-H]- 173.09718 139.9
[M+NH4]+ 192.13828 156.8
[M+K]+ 213.06762 142.1
[M+H-H2O]+ 157.10172 130.4
[M+HCOO]- 219.10266 159.8
[M+CH3COO]- 233.11831 183.5
[M+Na-2H]- 195.07913 140.3
[M]+ 174.10391 137.7
[M]- 174.10501 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.