CID 2794657

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

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CN1C=C(C=C1C(=O)OC)N
InChI
InChI=1S/C7H10N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h3-4H,8H2,1-2H3
InChIKey
DXQCQLJXMICOKQ-UHFFFAOYSA-N
Compound name
methyl 4-amino-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

471
Patents

154.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 130.5
[M+Na]+ 177.063448 139.6
[M-H]- 153.066954 133.1
[M+NH4]+ 172.108053 151.9
[M+K]+ 193.037388 138.8
[M+H-H2O]+ 137.071490 124.5
[M+HCOO]- 199.072431 155.2
[M+CH3COO]- 213.088081 177.8
[M+Na-2H]- 175.048896 134.1
[M]+ 154.07368142 131.3
[M]- 154.07477858 131.3
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