CID 118989583

2445785-15-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 127.0
[M+Na]+ 163.047798 135.2
[M-H]- 139.051304 128.0
[M+NH4]+ 158.092403 147.9
[M+K]+ 179.021738 133.7
[M+H-H2O]+ 123.055840 121.0
[M+HCOO]- 185.056781 150.5
[M+CH3COO]- 199.072431 171.0
[M+Na-2H]- 161.033246 131.3
[M]+ 140.05803142 125.1
[M]- 140.05912858 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

No literature data available for this compound.

Patent stripe

patents stripe