CID 35892

31755-08-5

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCN(C2)C(C)(C)C
InChI
InChI=1S/C16H23ClN2O2/c1-11-6-5-7-13(17)14(11)18-15(20)21-12-8-9-19(10-12)16(2,3)4/h5-7,12H,8-10H2,1-4H3,(H,18,20)
InChIKey
HZPVYVIKZIPUDA-UHFFFAOYSA-N
Compound name
(1-tert-butylpyrrolidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 175.3
[M+Na]+ 333.134018 182.1
[M-H]- 309.137524 180.6
[M+NH4]+ 328.178623 191.6
[M+K]+ 349.107958 177.8
[M+H-H2O]+ 293.142060 168.6
[M+HCOO]- 355.143001 190.1
[M+CH3COO]- 369.158651 205.8
[M+Na-2H]- 331.119466 175.4
[M]+ 310.14425142 176.9
[M]- 310.14534858 176.9
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

No patent data available for this compound.