CID 2758017

502546-41-0

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1CC1C2=NC(=NN2)N

InChI

InChI=1S/C5H8N4/c6-5-7-4(8-9-5)3-1-2-3/h3H,1-2H2,(H3,6,7,8,9)

InChIKey

UKNDNCZZVHGBJQ-UHFFFAOYSA-N

Compound name

5-cyclopropyl-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 124.0749 Da
Monoisotopic Mass: 0.2
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]+	125.08218	126.0
[M+Na]+	147.06412	138.0
[M+NH4]+	142.10872	134.0
[M+K]+	163.03806	136.4
[M-H]-	123.06762	133.8
[M+Na-2H]-	145.04957	134.5
[M]+	124.07435	130.7
[M]-	124.07545	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe