CID 12111022

Ethyl 2-amino-1h-pyrrole-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

154.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 131.6
[M+Na]+ 177.063448 139.3
[M-H]- 153.066954 132.4
[M+NH4]+ 172.108053 151.9
[M+K]+ 193.037388 137.6
[M+H-H2O]+ 137.071490 125.4
[M+HCOO]- 199.072431 154.8
[M+CH3COO]- 213.088081 174.0
[M+Na-2H]- 175.048896 135.3
[M]+ 154.07368142 130.1
[M]- 154.07477858 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

No literature data available for this compound.

Patent stripe

patents stripe