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

80
Patents

140.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 126.2
[M+Na]+ 163.047798 134.9
[M-H]- 139.051304 128.7
[M+NH4]+ 158.092403 147.9
[M+K]+ 179.021738 134.3
[M+H-H2O]+ 123.055840 120.1
[M+HCOO]- 185.056781 151.3
[M+CH3COO]- 199.072431 173.5
[M+Na-2H]- 161.033246 131.1
[M]+ 140.05803142 126.3
[M]- 140.05912858 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