CID 19608838

3-cyclopropyl-1h-1,2,4-triazole

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1CC1C2=NC=NN2

InChI

InChI=1S/C5H7N3/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2,(H,6,7,8)

InChIKey

KTIRQJGWLMORDV-UHFFFAOYSA-N

Compound name

5-cyclopropyl-1H-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 109.063995 Da
Monoisotopic Mass: 0.6
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]+	110.071271	127.0
[M+Na]+	132.053213	137.7
[M-H]-	108.056719	129.4
[M+NH4]+	127.097818	141.9
[M+K]+	148.027153	134.2
[M+H-H2O]+	92.061255	118.9
[M+HCOO]-	154.062196	148.7
[M+CH3COO]-	168.077846	140.1
[M+Na-2H]-	130.038661	133.9
[M]+	109.06344642	126.7
[M]-	109.06454358	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe