CID 61353394

1248021-27-3

Structural Information

Molecular Formula

C₇H₁₄N₄

SMILES

CC1=NN=C(N1C)CCCN

InChI

InChI=1S/C7H14N4/c1-6-9-10-7(11(6)2)4-3-5-8/h3-5,8H2,1-2H3

InChIKey

WPOPKALCUXTWBT-UHFFFAOYSA-N

Compound name

3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	133.6
[M+Na]+	177.11106	144.4
[M+NH4]+	172.15566	140.6
[M+K]+	193.08500	140.9
[M-H]-	153.11456	133.7
[M+Na-2H]-	175.09651	138.3
[M]+	154.12129	134.8
[M]-	154.12239	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.