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]+ 256.10988 157.9
[M+Na]+ 278.09182 166.1
[M-H]- 254.09532 161.9
[M+NH4]+ 273.13642 176.4
[M+K]+ 294.06576 162.6
[M+H-H2O]+ 238.09986 153.1
[M+HCOO]- 300.10080 175.9
[M+CH3COO]- 314.11645 196.7
[M+Na-2H]- 276.07727 162.0
[M]+ 255.10205 162.3
[M]- 255.10315 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.