CID 160783125

Methyl 3-(aminomethyl)-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC(=O)C1=C(C=CN1)CN
InChI
InChI=1S/C7H10N2O2/c1-11-7(10)6-5(4-8)2-3-9-6/h2-3,9H,4,8H2,1H3
InChIKey
SAVPPRVIMRVEFD-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.07423 Da
Monoisotopic Mass

-0.2
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

No literature data available for this compound.

Patent stripe

patents stripe