CID 1094293

872999-07-0

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C(=CC=N2)N
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-8-5-10(6-9-16)17-11(14)4-7-15-17/h4,7,10H,5-6,8-9,14H2,1-3H3
InChIKey
GPPWROXEQAURAI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-aminopyrazol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
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

literature stripe

Patent stripe

patents stripe