CID 26602

Cloforex

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCOC(=O)NC(C)(C)CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKey
TZWKUQDQKPYNLL-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

2891
Patents

255.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.109876 158.4
[M+Na]+ 278.091818 165.5
[M-H]- 254.095324 161.9
[M+NH4]+ 273.136423 176.3
[M+K]+ 294.065758 161.9
[M+H-H2O]+ 238.099860 153.1
[M+HCOO]- 300.100801 176.2
[M+CH3COO]- 314.116451 196.1
[M+Na-2H]- 276.077266 163.0
[M]+ 255.10205142 162.4
[M]- 255.10314858 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe