CID 43726009

Methyl 2-{[(2-bromophenyl)methyl]amino}-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C12H16BrNO2
SMILES
CC(C)(C(=O)OC)NCC1=CC=CC=C1Br
InChI
InChI=1S/C12H16BrNO2/c1-12(2,11(15)16-3)14-8-9-6-4-5-7-10(9)13/h4-7,14H,8H2,1-3H3
InChIKey
CKTAFYPHOFBMFD-UHFFFAOYSA-N
Compound name
methyl 2-[(2-bromophenyl)methylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03644 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04372 156.4
[M+Na]+ 308.02566 158.0
[M+NH4]+ 303.07026 160.2
[M+K]+ 323.99960 158.7
[M-H]- 284.02916 156.4
[M+Na-2H]- 306.01111 159.0
[M]+ 285.03589 155.4
[M]- 285.03699 155.4
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.