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]+ 153.11348 133.8
[M+Na]+ 175.09542 141.3
[M-H]- 151.09892 132.6
[M+NH4]+ 170.14002 151.5
[M+K]+ 191.06936 138.3
[M+H-H2O]+ 135.10346 125.1
[M+HCOO]- 197.10440 150.9
[M+CH3COO]- 211.12005 145.3
[M+Na-2H]- 173.08087 136.1
[M]+ 152.10565 128.0
[M]- 152.10675 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.