CID 135480743

2h-pyrrole-2-carboxamide, n-(3-amino-3-iminopropyl)-3,4-dihydro-5-(methylamino)-

Structural Information

Molecular Formula
C9H17N5O
SMILES
CN=C1CCC(N1)C(=O)NCCC(=N)N
InChI
InChI=1S/C9H17N5O/c1-12-8-3-2-6(14-8)9(15)13-5-4-7(10)11/h6H,2-5H2,1H3,(H3,10,11)(H,12,14)(H,13,15)
InChIKey
LZFMHOIVNXVHDU-UHFFFAOYSA-N
Compound name
N-(3-amino-3-iminopropyl)-5-methyliminopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.14331 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 148.5
[M+Na]+ 234.13253 151.5
[M-H]- 210.13603 149.7
[M+NH4]+ 229.17713 165.7
[M+K]+ 250.10647 149.7
[M+H-H2O]+ 194.14057 140.5
[M+HCOO]- 256.14151 171.7
[M+CH3COO]- 270.15716 195.5
[M+Na-2H]- 232.11798 149.8
[M]+ 211.14276 140.9
[M]- 211.14386 140.9
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

No patent data available for this compound.