CID 6002761

59434-99-0

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CNC(=C1C)/C=C(\C#N)/C(=O)OC
InChI
InChI=1S/C11H12N2O2/c1-7-6-13-10(8(7)2)4-9(5-12)11(14)15-3/h4,6,13H,1-3H3/b9-4+
InChIKey
LQJYZFQAQTXZEZ-RUDMXATFSA-N
Compound name
methyl (E)-2-cyano-3-(3,4-dimethyl-1H-pyrrol-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 147.3
[M+Na]+ 227.07909 156.9
[M-H]- 203.08259 148.2
[M+NH4]+ 222.12369 164.3
[M+K]+ 243.05303 153.8
[M+H-H2O]+ 187.08713 134.4
[M+HCOO]- 249.08807 164.5
[M+CH3COO]- 263.10372 195.6
[M+Na-2H]- 225.06454 147.7
[M]+ 204.08932 142.7
[M]- 204.09042 142.7
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.