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
1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.