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

3015
Patents

241.10626 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 149.0
[M+Na]+ 264.095478 154.0
[M-H]- 240.098984 150.8
[M+NH4]+ 259.140083 164.2
[M+K]+ 280.069418 147.9
[M+H-H2O]+ 224.103520 146.6
[M+HCOO]- 286.104461 174.6
[M+CH3COO]- 300.120111 188.5
[M+Na-2H]- 262.080926 155.7
[M]+ 241.10571142 147.2
[M]- 241.10680858 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