CID 41915

56538-01-3

Structural Information

Molecular Formula
C10H13ClN2O3
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCCl
InChI
InChI=1S/C10H13ClN2O3/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
APKWZCHXKUTRGW-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06874 149.7
[M+Na]+ 267.05068 162.8
[M+NH4]+ 262.09528 157.7
[M+K]+ 283.02462 158.4
[M-H]- 243.05418 153.3
[M+Na-2H]- 265.03613 155.8
[M]+ 244.06091 152.7
[M]- 244.06201 152.7
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

No patent data available for this compound.