CID 43623

61361-58-8

Structural Information

Molecular Formula
C10H13BrN2O3
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCBr
InChI
InChI=1S/C10H13BrN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKey
OSWYWBCJIVTSBT-UHFFFAOYSA-N
Compound name
2-bromo-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01096 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01824 159.1
[M+Na]+ 311.00018 161.7
[M+NH4]+ 306.04478 163.0
[M+K]+ 326.97412 163.6
[M-H]- 287.00368 160.8
[M+Na-2H]- 308.98563 161.3
[M]+ 288.01041 158.6
[M]- 288.01151 158.6
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.