CID 127018253

2060041-30-5

Structural Information

Molecular Formula
C9H16N4O
SMILES
CN1C=NN=C1CC2(CCCNC2)O
InChI
InChI=1S/C9H16N4O/c1-13-7-11-12-8(13)5-9(14)3-2-4-10-6-9/h7,10,14H,2-6H2,1H3
InChIKey
KMLITJQMAZTFCI-UHFFFAOYSA-N
Compound name
3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13242 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.139696 145.5
[M+Na]+ 219.121638 152.2
[M-H]- 195.125144 143.8
[M+NH4]+ 214.166243 161.5
[M+K]+ 235.095578 148.9
[M+H-H2O]+ 179.129680 136.8
[M+HCOO]- 241.130621 160.0
[M+CH3COO]- 255.146271 155.7
[M+Na-2H]- 217.107086 149.7
[M]+ 196.13187142 139.8
[M]- 196.13296858 139.8
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.