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

0
Patents

324.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16774 178.4
[M+Na]+ 347.14968 183.8
[M-H]- 323.15318 183.0
[M+NH4]+ 342.19428 192.1
[M+K]+ 363.12362 179.5
[M+H-H2O]+ 307.15772 171.0
[M+HCOO]- 369.15866 190.6
[M+CH3COO]- 383.17431 209.3
[M+Na-2H]- 345.13513 179.4
[M]+ 324.15991 178.2
[M]- 324.16101 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