CID 154879023

2138143-00-5

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)N2C(=CC=N2)N
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-4-5-10(9-16)17-11(14)6-7-15-17/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKey
VOTHOORLZYRRGN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(5-aminopyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.181576 165.3
[M+Na]+ 289.163518 170.6
[M-H]- 265.167024 167.2
[M+NH4]+ 284.208123 179.1
[M+K]+ 305.137458 168.5
[M+H-H2O]+ 249.171560 156.6
[M+HCOO]- 311.172501 180.9
[M+CH3COO]- 325.188151 197.3
[M+Na-2H]- 287.148966 166.1
[M]+ 266.17375142 161.9
[M]- 266.17484858 161.9
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.