CID 131037453

4-(1h-1,2,3-triazol-4-yl)piperidin-4-ol dihydrochloride

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1CNCCC1(C2=NNN=C2)O
InChI
InChI=1S/C7H12N4O/c12-7(1-3-8-4-2-7)6-5-9-11-10-6/h5,8,12H,1-4H2,(H,9,10,11)
InChIKey
WHLYOKPDJLEMRO-UHFFFAOYSA-N
Compound name
4-(2H-triazol-4-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 137.6
[M+Na]+ 191.090318 143.7
[M-H]- 167.093824 134.5
[M+NH4]+ 186.134923 153.6
[M+K]+ 207.064258 140.1
[M+H-H2O]+ 151.098360 129.1
[M+HCOO]- 213.099301 151.2
[M+CH3COO]- 227.114951 147.5
[M+Na-2H]- 189.075766 143.0
[M]+ 168.10055142 129.0
[M]- 168.10164858 129.0
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.