CID 28065234

1255718-03-6

Structural Information

Molecular Formula

C₆H₁₁N₃

SMILES

CC1=CN=C(N1)CNC

InChI

InChI=1S/C6H11N3/c1-5-3-8-6(9-5)4-7-2/h3,7H,4H2,1-2H3,(H,8,9)

InChIKey

VWPUDWHRYBWJRG-UHFFFAOYSA-N

Compound name

N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 125.0953 Da
Monoisotopic Mass: -0.1
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]+	126.10258	125.3
[M+Na]+	148.08452	133.6
[M-H]-	124.08802	125.2
[M+NH4]+	143.12912	146.0
[M+K]+	164.05846	131.6
[M+H-H2O]+	108.09256	118.6
[M+HCOO]-	170.09350	148.5
[M+CH3COO]-	184.10915	171.0
[M+Na-2H]-	146.06997	131.9
[M]+	125.09475	123.6
[M]-	125.09585	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe