CID 63138240

2416236-58-1

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1(CCCNC1)C2=NC=NN2
InChI
InChI=1S/C8H14N4/c1-8(3-2-4-9-5-8)7-10-6-11-12-7/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKey
VMLRMVKKLVMTPX-UHFFFAOYSA-N
Compound name
3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 138.2
[M+Na]+ 189.11106 148.7
[M+NH4]+ 184.15566 146.7
[M+K]+ 205.08500 143.2
[M-H]- 165.11456 138.4
[M+Na-2H]- 187.09651 145.3
[M]+ 166.12129 139.6
[M]- 166.12239 139.6
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.