CID 55284239

791584-15-1

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CN1N=CC(=N1)CN

InChI

InChI=1S/C4H8N4/c1-8-6-3-4(2-5)7-8/h3H,2,5H2,1H3

InChIKey

GRICOPNPZSTXAI-UHFFFAOYSA-N

Compound name

(2-methyltriazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 112.0749 Da
Monoisotopic Mass: -0.9
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]+	113.08218	120.4
[M+Na]+	135.06412	130.0
[M-H]-	111.06762	120.1
[M+NH4]+	130.10872	140.7
[M+K]+	151.03806	129.0
[M+H-H2O]+	95.072160	112.9
[M+HCOO]-	157.07310	143.8
[M+CH3COO]-	171.08875	169.8
[M+Na-2H]-	133.04957	127.4
[M]+	112.07435	119.4
[M]-	112.07545	119.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe