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

2884
Patents

255.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 158.4
[M+Na]+ 278.09182 165.5
[M-H]- 254.09532 161.9
[M+NH4]+ 273.13642 176.3
[M+K]+ 294.06576 161.9
[M+H-H2O]+ 238.09986 153.1
[M+HCOO]- 300.10080 176.2
[M+CH3COO]- 314.11645 196.1
[M+Na-2H]- 276.07727 163.0
[M]+ 255.10205 162.4
[M]- 255.10315 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.