CID 78204

N-amidinohexanamide

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CCCCCC(=O)N=C(N)N

InChI

InChI=1S/C7H15N3O/c1-2-3-4-5-6(11)10-7(8)9/h2-5H2,1H3,(H4,8,9,10,11)

InChIKey

DSLSNSBQZMOQQK-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 157.1215 Da
Monoisotopic Mass: 1.1
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]+	158.128776	137.2
[M+Na]+	180.110718	142.1
[M-H]-	156.114224	137.7
[M+NH4]+	175.155323	157.3
[M+K]+	196.084658	141.9
[M+H-H2O]+	140.118760	131.0
[M+HCOO]-	202.119701	162.5
[M+CH3COO]-	216.135351	186.8
[M+Na-2H]-	178.096166	140.1
[M]+	157.12095142	134.7
[M]-	157.12204858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe