CID 177799737

3017233-50-7

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]+ 271.120776 163.2
[M+Na]+ 293.102718 171.4
[M-H]- 269.106224 166.9
[M+NH4]+ 288.147323 180.6
[M+K]+ 309.076658 167.6
[M+H-H2O]+ 253.110760 158.2
[M+HCOO]- 315.111701 181.5
[M+CH3COO]- 329.127351 202.4
[M+Na-2H]- 291.088166 165.7
[M]+ 270.11295142 166.1
[M]- 270.11404858 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.