CID 138991379

2309462-17-5

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)NC1=C(NN=C1)C2CCCCN2
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-10-8-15-17-11(10)9-6-4-5-7-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
FKYCZXSBUFEAIG-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-piperidin-2-yl-1H-pyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 165.4
[M+Na]+ 289.16352 168.8
[M-H]- 265.16702 164.7
[M+NH4]+ 284.20812 177.6
[M+K]+ 305.13746 165.5
[M+H-H2O]+ 249.17156 156.8
[M+HCOO]- 311.17250 178.6
[M+CH3COO]- 325.18815 191.8
[M+Na-2H]- 287.14897 167.0
[M]+ 266.17375 158.9
[M]- 266.17485 158.9
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.