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

4
Patents

202.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 148.4
[M+Na]+ 225.12499 160.8
[M+NH4]+ 220.16959 156.5
[M+K]+ 241.09893 153.6
[M-H]- 201.12849 150.4
[M+Na-2H]- 223.11044 154.3
[M]+ 202.13522 150.7
[M]- 202.13632 150.7
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

patents stripe