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]+ 197.13970 145.5
[M+Na]+ 219.12164 152.2
[M-H]- 195.12514 143.8
[M+NH4]+ 214.16624 161.5
[M+K]+ 235.09558 148.9
[M+H-H2O]+ 179.12968 136.8
[M+HCOO]- 241.13062 160.0
[M+CH3COO]- 255.14627 155.7
[M+Na-2H]- 217.10709 149.7
[M]+ 196.13187 139.8
[M]- 196.13297 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.