CID 27571

Re 5454

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCC(C)(C)C1=CC(=C(C=C1)Cl)OC(=O)NC
InChI
InChI=1S/C13H18ClNO2/c1-5-13(2,3)9-6-7-10(14)11(8-9)17-12(16)15-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKey
BBRASQCNDLKYHM-UHFFFAOYSA-N
Compound name
[2-chloro-5-(2-methylbutan-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 157.7
[M+Na]+ 278.09182 165.8
[M-H]- 254.09532 161.6
[M+NH4]+ 273.13642 176.0
[M+K]+ 294.06576 162.3
[M+H-H2O]+ 238.09986 152.8
[M+HCOO]- 300.10080 175.6
[M+CH3COO]- 314.11645 197.3
[M+Na-2H]- 276.07727 161.8
[M]+ 255.10205 162.1
[M]- 255.10315 162.1
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

patents stripe