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 137.6
[M+Na]+ 189.11106 148.1
[M+NH4]+ 184.15566 144.7
[M+K]+ 205.08500 146.6
[M-H]- 165.11456 137.8
[M+Na-2H]- 187.09651 142.4
[M]+ 166.12129 138.8
[M]- 166.12239 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.