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]+ 153.11348 133.2
[M+Na]+ 175.09542 143.5
[M+NH4]+ 170.14002 140.5
[M+K]+ 191.06936 142.1
[M-H]- 151.09892 133.3
[M+Na-2H]- 173.08087 138.5
[M]+ 152.10565 134.3
[M]- 152.10675 134.3
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.