CID 251919

Dl-noformicin

Structural Information

Molecular Formula

C₈H₁₅N₅O

SMILES

C1CC(=NC1C(=O)NCCC(=N)N)N

InChI

InChI=1S/C8H15N5O/c9-6(10)3-4-12-8(14)5-1-2-7(11)13-5/h5H,1-4H2,(H3,9,10)(H2,11,13)(H,12,14)

InChIKey

QGFXBZOMUMWGII-UHFFFAOYSA-N

Compound name

5-amino-N-(3-amino-3-iminopropyl)-3,4-dihydro-2H-pyrrole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
Patents: 197.12766 Da
Monoisotopic Mass: -2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.13494	143.2
[M+Na]+	220.11688	147.3
[M-H]-	196.12038	144.5
[M+NH4]+	215.16148	160.8
[M+K]+	236.09082	145.8
[M+H-H2O]+	180.12492	135.3
[M+HCOO]-	242.12586	167.4
[M+CH3COO]-	256.14151	193.1
[M+Na-2H]-	218.10233	145.0
[M]+	197.12711	136.4
[M]-	197.12821	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe