CID 12985736

Methyl 4-amino-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC(=O)C1=CC(=CN1)N
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,7H2,1H3
InChIKey
ROLAJBYPBHAJMH-UHFFFAOYSA-N
Compound name
methyl 4-amino-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

140.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 127.0
[M+Na]+ 163.04780 135.2
[M-H]- 139.05130 128.0
[M+NH4]+ 158.09240 147.9
[M+K]+ 179.02174 133.7
[M+H-H2O]+ 123.05584 121.0
[M+HCOO]- 185.05678 150.5
[M+CH3COO]- 199.07243 171.0
[M+Na-2H]- 161.03325 131.3
[M]+ 140.05803 125.1
[M]- 140.05913 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe