CID 177799758

Tert-butyl n-[(2-amino-3-methylphenyl)methyl]carbamate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC1=C(C(=CC=C1)CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H20N2O2/c1-9-6-5-7-10(11(9)14)8-15-12(16)17-13(2,3)4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKey
CIOLMLBUXGFTGA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-amino-3-methylphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.4
[M+Na]+ 259.141698 162.8
[M-H]- 235.145204 159.8
[M+NH4]+ 254.186303 174.0
[M+K]+ 275.115638 161.1
[M+H-H2O]+ 219.149740 150.2
[M+HCOO]- 281.150681 179.1
[M+CH3COO]- 295.166331 197.4
[M+Na-2H]- 257.127146 160.0
[M]+ 236.15193142 156.8
[M]- 236.15302858 156.8
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.