CID 59628795

(2e)-2-methyl-3-[4-(2-methylpropyl)phenyl]-2-propenal

Structural Information

Molecular Formula
C14H18O
SMILES
CC(C)CC1=CC=C(C=C1)/C=C(\C)/C=O
InChI
InChI=1S/C14H18O/c1-11(2)8-13-4-6-14(7-5-13)9-12(3)10-15/h4-7,9-11H,8H2,1-3H3/b12-9+
InChIKey
LXCNIWIHIQTKFZ-FMIVXFBMSA-N
Compound name
(E)-2-methyl-3-[4-(2-methylpropyl)phenyl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

202.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 147.1
[M+Na]+ 225.124988 153.6
[M-H]- 201.128494 150.5
[M+NH4]+ 220.169593 166.5
[M+K]+ 241.098928 150.7
[M+H-H2O]+ 185.133030 141.2
[M+HCOO]- 247.133971 168.7
[M+CH3COO]- 261.149621 188.9
[M+Na-2H]- 223.110436 149.6
[M]+ 202.13522142 148.0
[M]- 202.13631858 148.0
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

patents stripe