CID 22632605

207798-38-7

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKey
BSZYGTODZAFRDC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-formylphenoxy)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

305.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.3
[M+Na]+ 328.15194 177.0
[M-H]- 304.15544 176.8
[M+NH4]+ 323.19654 185.7
[M+K]+ 344.12588 175.1
[M+H-H2O]+ 288.15998 164.1
[M+HCOO]- 350.16092 188.7
[M+CH3COO]- 364.17657 202.8
[M+Na-2H]- 326.13739 174.4
[M]+ 305.16217 172.5
[M]- 305.16327 172.5
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