CID 121552530

1864014-76-5

Structural Information

Molecular Formula
C8H14N4O
SMILES
C1CC(CNC1)(CN2C=CN=N2)O
InChI
InChI=1S/C8H14N4O/c13-8(2-1-3-9-6-8)7-12-5-4-10-11-12/h4-5,9,13H,1-3,6-7H2
InChIKey
ZIWIZUNXJJKHPT-UHFFFAOYSA-N
Compound name
3-(triazol-1-ylmethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 141.0
[M+Na]+ 205.10598 147.1
[M-H]- 181.10948 139.0
[M+NH4]+ 200.15058 157.1
[M+K]+ 221.07992 144.1
[M+H-H2O]+ 165.11402 132.0
[M+HCOO]- 227.11496 155.7
[M+CH3COO]- 241.13061 151.2
[M+Na-2H]- 203.09143 146.4
[M]+ 182.11621 134.5
[M]- 182.11731 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.