CID 515632

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

Structural Information

Molecular Formula
C7H13N5O
SMILES
C1CC(=NC1C(=O)NCC(=N)N)N
InChI
InChI=1S/C7H13N5O/c8-5(9)3-11-7(13)4-1-2-6(10)12-4/h4H,1-3H2,(H3,8,9)(H2,10,12)(H,11,13)
InChIKey
XUKSOJSHKCEBJF-UHFFFAOYSA-N
Compound name
5-amino-N-(2-amino-2-iminoethyl)-3,4-dihydro-2H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

183.11201 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11929 138.8
[M+Na]+ 206.10123 143.4
[M-H]- 182.10473 140.3
[M+NH4]+ 201.14583 157.0
[M+K]+ 222.07517 142.0
[M+H-H2O]+ 166.10927 131.1
[M+HCOO]- 228.11021 163.4
[M+CH3COO]- 242.12586 190.0
[M+Na-2H]- 204.08668 141.2
[M]+ 183.11146 131.7
[M]- 183.11256 131.7
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.