CID 5352024

P-tolyl crotonate

Structural Information

Molecular Formula
C11H12O2
SMILES
C/C=C/C(=O)OC1=CC=C(C=C1)C
InChI
InChI=1S/C11H12O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+
InChIKey
FGJQFRNEXKYBQC-ONEGZZNKSA-N
Compound name
(4-methylphenyl) (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

176.08372 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.6
[M+Na]+ 199.072938 144.7
[M-H]- 175.076444 140.5
[M+NH4]+ 194.117543 157.2
[M+K]+ 215.046878 142.7
[M+H-H2O]+ 159.080980 131.1
[M+HCOO]- 221.081921 160.5
[M+CH3COO]- 235.097571 180.3
[M+Na-2H]- 197.058386 142.0
[M]+ 176.08317142 138.4
[M]- 176.08426858 138.4
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