CID 71651175

1229516-67-9

Structural Information

Molecular Formula
C13H22N4O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(N=N2)CO
InChI
InChI=1S/C13H22N4O3/c1-13(2,3)20-12(19)16-6-4-11(5-7-16)17-8-10(9-18)14-15-17/h8,11,18H,4-7,9H2,1-3H3
InChIKey
DIDNNROJDFHIMV-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1692 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.17648 169.4
[M+Na]+ 305.15842 175.0
[M-H]- 281.16192 169.1
[M+NH4]+ 300.20302 180.9
[M+K]+ 321.13236 172.8
[M+H-H2O]+ 265.16646 160.3
[M+HCOO]- 327.16740 181.9
[M+CH3COO]- 341.18305 195.5
[M+Na-2H]- 303.14387 170.1
[M]+ 282.16865 167.8
[M]- 282.16975 167.8
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.