CID 28431396

Methyl 2-{[(4-bromophenyl)methyl]amino}acetate hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
COC(=O)CNCC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H12BrNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKey
FGHOOSWZOCWTJI-UHFFFAOYSA-N
Compound name
methyl 2-[(4-bromophenyl)methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

257.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 148.2
[M+Na]+ 279.99435 158.2
[M-H]- 255.99785 154.2
[M+NH4]+ 275.03895 168.4
[M+K]+ 295.96829 147.4
[M+H-H2O]+ 240.00239 147.2
[M+HCOO]- 302.00333 170.3
[M+CH3COO]- 316.01898 193.4
[M+Na-2H]- 277.97980 155.0
[M]+ 257.00458 167.8
[M]- 257.00568 167.8
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

patents stripe