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 154.8
[M+Na]+ 293.02599 163.6
[M-H]- 269.02949 161.3
[M+NH4]+ 288.07059 174.4
[M+K]+ 308.99993 152.8
[M+H-H2O]+ 253.03403 152.7
[M+HCOO]- 315.03497 177.0
[M+CH3COO]- 329.05062 201.6
[M+Na-2H]- 291.01144 159.3
[M]+ 270.03622 172.7
[M]- 270.03732 172.7
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