CID 28286212

1082555-90-5

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C)(C1=NC=CN1C)N

InChI

InChI=1S/C7H13N3/c1-7(2,8)6-9-4-5-10(6)3/h4-5H,8H2,1-3H3

InChIKey

PKMTXLQLSZLELD-UHFFFAOYSA-N

Compound name

2-(1-methylimidazol-2-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.11095 Da
Monoisotopic Mass: -0.5
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	129.5
[M+Na]+	162.10017	139.8
[M+NH4]+	157.14477	137.2
[M+K]+	178.07411	137.1
[M-H]-	138.10367	129.8
[M+Na-2H]-	160.08562	134.9
[M]+	139.11040	130.8
[M]-	139.11150	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.