CID 35908

31755-24-5

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCN(C2)C(C)(C)C
InChI
InChI=1S/C17H25ClN2O2/c1-12-7-5-9-14(18)15(12)19-16(21)22-13-8-6-10-20(11-13)17(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,21)
InChIKey
FIBDGFIWBHXGPY-UHFFFAOYSA-N
Compound name
(1-tert-butylpiperidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.167736 178.4
[M+Na]+ 347.149678 183.8
[M-H]- 323.153184 183.0
[M+NH4]+ 342.194283 192.1
[M+K]+ 363.123618 179.5
[M+H-H2O]+ 307.157720 171.0
[M+HCOO]- 369.158661 190.6
[M+CH3COO]- 383.174311 209.3
[M+Na-2H]- 345.135126 179.4
[M]+ 324.15991142 178.2
[M]- 324.16100858 178.2
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