CID 21188640

Tert-butyl 3-(3-hydroxypropyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-4-6-11(10-14)7-5-9-15/h11,15H,4-10H2,1-3H3
InChIKey
DIQOZPGKFVICKN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxypropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

243.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 160.8
[M+Na]+ 266.172658 164.5
[M-H]- 242.176164 160.5
[M+NH4]+ 261.217263 176.5
[M+K]+ 282.146598 163.3
[M+H-H2O]+ 226.180700 154.6
[M+HCOO]- 288.181641 175.2
[M+CH3COO]- 302.197291 190.1
[M+Na-2H]- 264.158106 162.4
[M]+ 243.18289142 159.3
[M]- 243.18398858 159.3
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

patents stripe