CID 38539

Benzylamine, o-bromo-n-(3-chloropropyl)-n-methyl-, oxalate

Structural Information

Molecular Formula
C11H15BrClN
SMILES
CN(CCCCl)CC1=CC=CC=C1Br
InChI
InChI=1S/C11H15BrClN/c1-14(8-4-7-13)9-10-5-2-3-6-11(10)12/h2-3,5-6H,4,7-9H2,1H3
InChIKey
QPSDGBVYXPMAKG-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]-3-chloro-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.00763 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01491 153.5
[M+Na]+ 297.99685 164.5
[M-H]- 274.00035 160.6
[M+NH4]+ 293.04145 174.8
[M+K]+ 313.97079 151.9
[M+H-H2O]+ 258.00489 153.4
[M+HCOO]- 320.00583 171.8
[M+CH3COO]- 334.02148 200.0
[M+Na-2H]- 295.98230 159.9
[M]+ 275.00708 175.3
[M]- 275.00818 175.3
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.