CID 177799737

Tert-butyl (2-amino-5-chloro-3-methylbenzyl)carbamate

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC1=CC(=CC(=C1N)CNC(=O)OC(C)(C)C)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-8-5-10(14)6-9(11(8)15)7-16-12(17)18-13(2,3)4/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKey
WMVPHPBMAHNZBO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-5-chloro-3-methylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 163.2
[M+Na]+ 293.10272 171.4
[M-H]- 269.10622 166.9
[M+NH4]+ 288.14732 180.6
[M+K]+ 309.07666 167.6
[M+H-H2O]+ 253.11076 158.2
[M+HCOO]- 315.11170 181.5
[M+CH3COO]- 329.12735 202.4
[M+Na-2H]- 291.08817 165.7
[M]+ 270.11295 166.1
[M]- 270.11405 166.1
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

No patent data available for this compound.