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]+ 271.044046 154.8
[M+Na]+ 293.025988 163.6
[M-H]- 269.029494 161.3
[M+NH4]+ 288.070593 174.4
[M+K]+ 308.999928 152.8
[M+H-H2O]+ 253.034030 152.7
[M+HCOO]- 315.034971 177.0
[M+CH3COO]- 329.050621 201.6
[M+Na-2H]- 291.011436 159.3
[M]+ 270.03622142 172.7
[M]- 270.03731858 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