CID 14104599

Methyl 1-amino-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC(=O)C1=CC=CN1N
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-3-2-4-8(5)7/h2-4H,7H2,1H3
InChIKey
OGSXCPFDMJGEDQ-UHFFFAOYSA-N
Compound name
methyl 1-aminopyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

140.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 126.2
[M+Na]+ 163.04780 134.9
[M-H]- 139.05130 128.7
[M+NH4]+ 158.09240 147.9
[M+K]+ 179.02174 134.3
[M+H-H2O]+ 123.05584 120.1
[M+HCOO]- 185.05678 151.3
[M+CH3COO]- 199.07243 173.5
[M+Na-2H]- 161.03325 131.1
[M]+ 140.05803 126.3
[M]- 140.05913 126.3
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