CID 92615031

2490322-60-4

Structural Information

Molecular Formula
C7H12N4
SMILES
CN1C=NN=C1[C@H]2CCCN2
InChI
InChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKey
XDUNSNMMXUKPIN-ZCFIWIBFSA-N
Compound name
4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.