CID 28818848

N-(2-aminoethyl)-1-methyl-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN1C=CC=C1C(=O)NCCN
InChI
InChI=1S/C8H13N3O/c1-11-6-2-3-7(11)8(12)10-5-4-9/h2-3,6H,4-5,9H2,1H3,(H,10,12)
InChIKey
KYRHMGHAXQVVIQ-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.3
[M+Na]+ 190.095088 143.2
[M-H]- 166.098594 138.3
[M+NH4]+ 185.139693 156.5
[M+K]+ 206.069028 141.6
[M+H-H2O]+ 150.103130 129.3
[M+HCOO]- 212.104071 161.4
[M+CH3COO]- 226.119721 182.6
[M+Na-2H]- 188.080536 140.4
[M]+ 167.10532142 134.8
[M]- 167.10641858 134.8
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

No patent data available for this compound.