CID 53192256

1250129-98-6

Structural Information

Molecular Formula
C10H16N4
SMILES
C1CC(CNC1)C2=NNC(=N2)C3CC3
InChI
InChI=1S/C10H16N4/c1-2-8(6-11-5-1)10-12-9(13-14-10)7-3-4-7/h7-8,11H,1-6H2,(H,12,13,14)
InChIKey
ZCUSQAMYBYWEDZ-UHFFFAOYSA-N
Compound name
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 152.4
[M+Na]+ 215.12672 159.9
[M-H]- 191.13022 154.0
[M+NH4]+ 210.17132 161.7
[M+K]+ 231.10066 154.0
[M+H-H2O]+ 175.13476 142.7
[M+HCOO]- 237.13570 167.1
[M+CH3COO]- 251.15135 161.6
[M+Na-2H]- 213.11217 154.6
[M]+ 192.13695 146.5
[M]- 192.13805 146.5
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.