CID 56828668

1390654-14-4

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=C(N(C=N1)CCN)C

InChI

InChI=1S/C7H13N3/c1-6-7(2)10(4-3-8)5-9-6/h5H,3-4,8H2,1-2H3

InChIKey

BSBQVAZPNNEYRF-UHFFFAOYSA-N

Compound name

2-(4,5-dimethylimidazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	129.4
[M+Na]+	162.10017	140.4
[M+NH4]+	157.14477	137.2
[M+K]+	178.07411	136.6
[M-H]-	138.10367	130.3
[M+Na-2H]-	160.08562	134.6
[M]+	139.11040	131.0
[M]-	139.11150	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe