CID 25180534

Tert-butyl n-[(2-aminophenyl)methyl]-n-methylcarbamate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC=CC=C1N
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(4)9-10-7-5-6-8-11(10)14/h5-8H,9,14H2,1-4H3
InChIKey
XDVPWOBOBAYXPT-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-aminophenyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

236.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.3
[M+Na]+ 259.141698 162.0
[M-H]- 235.145204 160.8
[M+NH4]+ 254.186303 174.2
[M+K]+ 275.115638 161.6
[M+H-H2O]+ 219.149740 149.7
[M+HCOO]- 281.150681 179.6
[M+CH3COO]- 295.166331 199.6
[M+Na-2H]- 257.127146 159.9
[M]+ 236.15193142 157.6
[M]- 236.15302858 157.6
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

patents stripe