CID 136589176

2173638-18-9

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1=NNC(=N1)[C@H]2CCCN2
InChI
InChI=1S/C7H12N4/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3,(H,9,10,11)/t6-/m1/s1
InChIKey
NYWMQSMKGVCQED-ZCFIWIBFSA-N
Compound name
3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 133.8
[M+Na]+ 175.095418 141.3
[M-H]- 151.098924 132.6
[M+NH4]+ 170.140023 151.5
[M+K]+ 191.069358 138.3
[M+H-H2O]+ 135.103460 125.1
[M+HCOO]- 197.104401 150.9
[M+CH3COO]- 211.120051 145.3
[M+Na-2H]- 173.080866 136.1
[M]+ 152.10565142 128.0
[M]- 152.10674858 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.