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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.1
[M+Na]+ 175.09542 140.9
[M-H]- 151.09892 133.2
[M+NH4]+ 170.14002 151.4
[M+K]+ 191.06936 138.9
[M+H-H2O]+ 135.10346 124.1
[M+HCOO]- 197.10440 151.6
[M+CH3COO]- 211.12005 145.2
[M+Na-2H]- 173.08087 135.8
[M]+ 152.10565 129.0
[M]- 152.10675 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

patents stripe