CID 6436105

2-propenal, 2-methyl-3-[4-(1-methylethyl)phenyl]-

Structural Information

Molecular Formula
C13H16O
SMILES
CC(C)C1=CC=C(C=C1)/C=C(\C)/C=O
InChI
InChI=1S/C13H16O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-10H,1-3H3/b11-8+
InChIKey
YCAMGBSPHGCQDC-DHZHZOJOSA-N
Compound name
(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 142.4
[M+Na]+ 211.10934 149.2
[M-H]- 187.11284 145.9
[M+NH4]+ 206.15394 162.3
[M+K]+ 227.08328 146.7
[M+H-H2O]+ 171.11738 136.7
[M+HCOO]- 233.11832 164.3
[M+CH3COO]- 247.13397 185.9
[M+Na-2H]- 209.09479 145.4
[M]+ 188.11957 142.9
[M]- 188.12067 142.9
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