CID 62327059

3,5-dimethyl-1-(pyrrolidin-3-yl)-1h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1=NN(C(=N1)C)C2CCNC2
InChI
InChI=1S/C8H14N4/c1-6-10-7(2)12(11-6)8-3-4-9-5-8/h8-9H,3-5H2,1-2H3
InChIKey
CJEYOZIHKHZSIM-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-pyrrolidin-3-yl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 137.8
[M+Na]+ 189.11106 146.2
[M-H]- 165.11456 138.2
[M+NH4]+ 184.15566 155.9
[M+K]+ 205.08500 143.8
[M+H-H2O]+ 149.11910 129.1
[M+HCOO]- 211.12004 156.0
[M+CH3COO]- 225.13569 149.9
[M+Na-2H]- 187.09651 139.3
[M]+ 166.12129 134.5
[M]- 166.12239 134.5
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.