CID 15257141

1,5-dimethyl-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

CC1=CN=NN1C

InChI

InChI=1S/C4H7N3/c1-4-3-5-6-7(4)2/h3H,1-2H3

InChIKey

QDKDCMQRAKMBPF-UHFFFAOYSA-N

Compound name

1,5-dimethyltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 598
Patents: 97.063995 Da
Monoisotopic Mass: 0.1
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]+	98.071271	116.8
[M+Na]+	120.05321	129.4
[M+NH4]+	115.09782	125.0
[M+K]+	136.02715	125.7
[M-H]-	96.056719	116.9
[M+Na-2H]-	118.03866	123.4
[M]+	97.063446	118.5
[M]-	97.064544	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe