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 152.0
[M+Na]+ 267.05068 159.0
[M-H]- 243.05418 155.4
[M+NH4]+ 262.09528 169.3
[M+K]+ 283.02462 151.8
[M+H-H2O]+ 227.05872 151.1
[M+HCOO]- 289.05966 173.9
[M+CH3COO]- 303.07531 188.6
[M+Na-2H]- 265.03613 158.7
[M]+ 244.06091 154.5
[M]- 244.06201 154.5
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.