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]+ 311.15208 175.3
[M+Na]+ 333.13402 182.1
[M-H]- 309.13752 180.6
[M+NH4]+ 328.17862 191.6
[M+K]+ 349.10796 177.8
[M+H-H2O]+ 293.14206 168.6
[M+HCOO]- 355.14300 190.1
[M+CH3COO]- 369.15865 205.8
[M+Na-2H]- 331.11947 175.4
[M]+ 310.14425 176.9
[M]- 310.14535 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.