CID 57774474

255051-62-8

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=CC=C2CO
InChI
InChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-10-8-13(9-11-18)15-7-5-4-6-14(15)12-19/h4-7,13,19H,8-12H2,1-3H3
InChIKey
XUAIUEGHJIVPSA-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

291.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.3
[M+Na]+ 314.17266 175.4
[M-H]- 290.17616 174.4
[M+NH4]+ 309.21726 184.7
[M+K]+ 330.14660 172.6
[M+H-H2O]+ 274.18070 163.6
[M+HCOO]- 336.18164 185.8
[M+CH3COO]- 350.19729 199.0
[M+Na-2H]- 312.15811 172.7
[M]+ 291.18289 168.9
[M]- 291.18399 168.9
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

patents stripe