CID 51890269

3-amino-n-[(2-bromophenyl)methyl]-n-methylpropanamide

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
CN(CC1=CC=CC=C1Br)C(=O)CCN
InChI
InChI=1S/C11H15BrN2O/c1-14(11(15)6-7-13)8-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3
InChIKey
ZMJJFHRCXVOPOD-UHFFFAOYSA-N
Compound name
3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.03677 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04405 152.5
[M+Na]+ 293.02599 153.8
[M+NH4]+ 288.07059 156.7
[M+K]+ 308.99993 154.2
[M-H]- 269.02949 153.8
[M+Na-2H]- 291.01144 155.4
[M]+ 270.03622 151.7
[M]- 270.03732 151.7
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