CID 78132

N-carbamimidoylbutanamide

Structural Information

Molecular Formula

C₅H₁₁N₃O

SMILES

CCCC(=O)N=C(N)N

InChI

InChI=1S/C5H11N3O/c1-2-3-4(9)8-5(6)7/h2-3H2,1H3,(H4,6,7,8,9)

InChIKey

OZRCULZKJLSCQW-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 129.09021 Da
Monoisotopic Mass: 0.0
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]+	130.097486	128.1
[M+Na]+	152.079428	133.8
[M-H]-	128.082934	129.0
[M+NH4]+	147.124033	149.3
[M+K]+	168.053368	134.2
[M+H-H2O]+	112.087470	122.3
[M+HCOO]-	174.088411	154.1
[M+CH3COO]-	188.104061	180.7
[M+Na-2H]-	150.064876	132.0
[M]+	129.08966142	124.9
[M]-	129.09075858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe