CID 515636

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

Structural Information

Molecular Formula
C9H17N5O
SMILES
CC1CC(=NC1C(=O)NCCC(=N)N)N
InChI
InChI=1S/C9H17N5O/c1-5-4-7(12)14-8(5)9(15)13-3-2-6(10)11/h5,8H,2-4H2,1H3,(H3,10,11)(H2,12,14)(H,13,15)
InChIKey
FXZURWOBQWURRO-UHFFFAOYSA-N
Compound name
5-amino-N-(3-amino-3-iminopropyl)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

211.14331 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 148.4
[M+Na]+ 234.13253 153.0
[M-H]- 210.13603 149.9
[M+NH4]+ 229.17713 165.7
[M+K]+ 250.10647 151.2
[M+H-H2O]+ 194.14057 140.6
[M+HCOO]- 256.14151 172.2
[M+CH3COO]- 270.15716 197.3
[M+Na-2H]- 232.11798 148.9
[M]+ 211.14276 142.3
[M]- 211.14386 142.3
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

No patent data available for this compound.