CID 62055376

1803608-87-8

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CC(C)N1C=C(N=N1)CN

InChI

InChI=1S/C6H12N4/c1-5(2)10-4-6(3-7)8-9-10/h4-5H,3,7H2,1-2H3

InChIKey

MLGQMJALMNGPSR-UHFFFAOYSA-N

Compound name

(1-propan-2-yltriazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.1062 Da
Monoisotopic Mass: -0.7
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]+	141.11348	129.3
[M+Na]+	163.09542	139.5
[M+NH4]+	158.14002	136.4
[M+K]+	179.06936	136.9
[M-H]-	139.09892	129.1
[M+Na-2H]-	161.08087	134.2
[M]+	140.10565	130.4
[M]-	140.10675	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe