CID 63030981

4-methyl-3-(pyrrolidin-3-yl)-4h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

CN1C=NN=C1C2CCNC2

InChI

InChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3

InChIKey

OIZMGVQEOVIMOL-UHFFFAOYSA-N

Compound name

4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.1062 Da
Monoisotopic Mass: -0.8
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]+	153.113476	133.1
[M+Na]+	175.095418	140.9
[M-H]-	151.098924	133.2
[M+NH4]+	170.140023	151.4
[M+K]+	191.069358	138.9
[M+H-H2O]+	135.103460	124.1
[M+HCOO]-	197.104401	151.6
[M+CH3COO]-	211.120051	145.2
[M+Na-2H]-	173.080866	135.8
[M]+	152.10565142	129.0
[M]-	152.10674858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe