CID 2800739

Tert-butyl 4-(3-hydroxypropyl)tetrahydro-1(2h)-pyridinecarboxylate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCCO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-6-11(7-9-14)5-4-10-15/h11,15H,4-10H2,1-3H3
InChIKey
OXPWHPCCUXESFQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

792
Patents

243.18344 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 160.8
[M+Na]+ 266.17266 164.5
[M-H]- 242.17616 160.5
[M+NH4]+ 261.21726 176.5
[M+K]+ 282.14660 163.3
[M+H-H2O]+ 226.18070 154.6
[M+HCOO]- 288.18164 175.2
[M+CH3COO]- 302.19729 190.1
[M+Na-2H]- 264.15811 162.4
[M]+ 243.18289 159.3
[M]- 243.18399 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