CID 12066244

Ethyl 5-amino-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CCOC(=O)C1=CC=C(N1)N
InChI
InChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2,8H2,1H3
InChIKey
BZAJPZLNUKGPFS-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

154.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 131.6
[M+Na]+ 177.06345 139.3
[M-H]- 153.06695 132.4
[M+NH4]+ 172.10805 151.9
[M+K]+ 193.03739 137.6
[M+H-H2O]+ 137.07149 125.4
[M+HCOO]- 199.07243 154.8
[M+CH3COO]- 213.08808 174.0
[M+Na-2H]- 175.04890 135.3
[M]+ 154.07368 130.1
[M]- 154.07478 130.1
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