CID 16763501

924839-40-7

Structural Information

Molecular Formula

C₇H₁₄N₄

SMILES

CC(C)N1C=NN=C1CNC

InChI

InChI=1S/C7H14N4/c1-6(2)11-5-9-10-7(11)4-8-3/h5-6,8H,4H2,1-3H3

InChIKey

HTBNRMWFFNIJSW-UHFFFAOYSA-N

Compound name

N-methyl-1-(4-propan-2-yl-1,2,4-triazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.12184 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]+	155.12912	133.8
[M+Na]+	177.11106	144.1
[M+NH4]+	172.15566	140.8
[M+K]+	193.08500	141.0
[M-H]-	153.11456	133.7
[M+Na-2H]-	175.09651	138.9
[M]+	154.12129	134.9
[M]-	154.12239	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe