CID 54775628

1211511-27-1

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)CCl
InChI
InChI=1S/C13H18ClNO2/c1-9-5-6-11(7-10(9)8-14)15-12(16)17-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKey
JWXLTWXPWFJXKP-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(chloromethyl)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.109876 157.9
[M+Na]+ 278.091818 166.1
[M-H]- 254.095324 161.9
[M+NH4]+ 273.136423 176.4
[M+K]+ 294.065758 162.6
[M+H-H2O]+ 238.099860 153.1
[M+HCOO]- 300.100801 175.9
[M+CH3COO]- 314.116451 196.7
[M+Na-2H]- 276.077266 162.0
[M]+ 255.10205142 162.3
[M]- 255.10314858 162.3
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.