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 156.3
[M+Na]+ 311.00018 165.6
[M-H]- 287.00368 162.3
[M+NH4]+ 306.04478 174.6
[M+K]+ 326.97412 150.8
[M+H-H2O]+ 271.00822 158.7
[M+HCOO]- 333.00916 179.8
[M+CH3COO]- 347.02481 194.5
[M+Na-2H]- 308.98563 164.1
[M]+ 288.01041 175.6
[M]- 288.01151 175.6
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.