CID 43549976

1155949-16-8

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CC1=CC(=CC(=C1NC(=O)OC(C)(C)C)N)Br
InChI
InChI=1S/C12H17BrN2O2/c1-7-5-8(13)6-9(14)10(7)15-11(16)17-12(2,3)4/h5-6H,14H2,1-4H3,(H,15,16)
InChIKey
RQUWGLIIOSNENW-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-4-bromo-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 162.0
[M+Na]+ 323.03655 172.3
[M-H]- 299.04005 168.0
[M+NH4]+ 318.08115 180.6
[M+K]+ 339.01049 161.0
[M+H-H2O]+ 283.04459 160.6
[M+HCOO]- 345.04553 182.1
[M+CH3COO]- 359.06118 204.6
[M+Na-2H]- 321.02200 166.1
[M]+ 300.04678 180.5
[M]- 300.04788 180.5
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.