CID 55262944

(1-methyl-1h-1,2,3-triazol-5-yl)methanamine

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CN1C(=CN=N1)CN

InChI

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

InChIKey

PVWKPXNAMNJOFY-UHFFFAOYSA-N

Compound name

(3-methyltriazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 112.0749 Da
Monoisotopic Mass: -1.4
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	120.2
[M+Na]+	135.06412	131.1
[M+NH4]+	130.10872	127.7
[M+K]+	151.03806	128.2
[M-H]-	111.06762	120.3
[M+Na-2H]-	133.04957	126.0
[M]+	112.07435	121.4
[M]-	112.07545	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe