CID 21909551

Hc orange no. 2

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1=CC(=C(C=C1OCCO)[N+](=O)[O-])NCCN
InChI
InChI=1S/C10H15N3O4/c11-3-4-12-9-2-1-8(17-6-5-14)7-10(9)13(15)16/h1-2,7,12,14H,3-6,11H2
InChIKey
WXGKXLXGYOYZMX-UHFFFAOYSA-N
Compound name
2-[4-(2-aminoethylamino)-3-nitrophenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2445
Patents

241.10626 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 149.0
[M+Na]+ 264.09548 154.0
[M-H]- 240.09898 150.8
[M+NH4]+ 259.14008 164.2
[M+K]+ 280.06942 147.9
[M+H-H2O]+ 224.10352 146.6
[M+HCOO]- 286.10446 174.6
[M+CH3COO]- 300.12011 188.5
[M+Na-2H]- 262.08093 155.7
[M]+ 241.10571 147.2
[M]- 241.10681 147.2
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

patents stripe