CID 10986409

Methyl 4-cyano-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H6N2O2
SMILES
COC(=O)C1=CC(=CN1)C#N
InChI
InChI=1S/C7H6N2O2/c1-11-7(10)6-2-5(3-8)4-9-6/h2,4,9H,1H3
InChIKey
KLLCRUMWQRYULP-UHFFFAOYSA-N
Compound name
methyl 4-cyano-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

150.04292 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 130.3
[M+Na]+ 173.03214 140.6
[M-H]- 149.03564 131.2
[M+NH4]+ 168.07674 149.0
[M+K]+ 189.00608 138.4
[M+H-H2O]+ 133.04018 117.5
[M+HCOO]- 195.04112 149.4
[M+CH3COO]- 209.05677 184.3
[M+Na-2H]- 171.01759 134.4
[M]+ 150.04237 125.3
[M]- 150.04347 125.3
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