CID 132391097

2174002-07-2

Structural Information

Molecular Formula
C14H24N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=CC=N2)N
InChI
InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-8-5-11(6-9-17)10-18-12(15)4-7-16-18/h4,7,11H,5-6,8-10,15H2,1-3H3
InChIKey
FYPMBAXEBXHWHT-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(5-aminopyrazol-1-yl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19718 169.7
[M+Na]+ 303.17912 174.6
[M-H]- 279.18262 171.5
[M+NH4]+ 298.22372 182.9
[M+K]+ 319.15306 172.3
[M+H-H2O]+ 263.18716 160.8
[M+HCOO]- 325.18810 185.0
[M+CH3COO]- 339.20375 200.3
[M+Na-2H]- 301.16457 170.0
[M]+ 280.18935 166.7
[M]- 280.19045 166.7
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.