CID 16641640

3-(1h-imidazol-1-yl)butan-2-amine

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C(C)N1C=CN=C1)N

InChI

InChI=1S/C7H13N3/c1-6(8)7(2)10-4-3-9-5-10/h3-7H,8H2,1-2H3

InChIKey

NCHJUTFMHWBNCJ-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.11095 Da
Monoisotopic Mass: -0.2
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]+	140.11823	130.9
[M+Na]+	162.10017	137.7
[M-H]-	138.10367	131.4
[M+NH4]+	157.14477	151.0
[M+K]+	178.07411	137.0
[M+H-H2O]+	122.10821	123.6
[M+HCOO]-	184.10915	152.7
[M+CH3COO]-	198.12480	176.6
[M+Na-2H]-	160.08562	134.7
[M]+	139.11040	128.8
[M]-	139.11150	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.