CID 113056

Ethanol, 2-(2-(2-(4-nitrophenoxy)ethoxy)ethoxy)-

Structural Information

Molecular Formula
C12H17NO6
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCOCCOCCO
InChI
InChI=1S/C12H17NO6/c14-5-6-17-7-8-18-9-10-19-12-3-1-11(2-4-12)13(15)16/h1-4,14H,5-10H2
InChIKey
HHMZBDBWIQZVMN-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.1056 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.112876 159.7
[M+Na]+ 294.094818 164.5
[M-H]- 270.098324 161.4
[M+NH4]+ 289.139423 174.2
[M+K]+ 310.068758 159.3
[M+H-H2O]+ 254.102860 157.0
[M+HCOO]- 316.103801 183.6
[M+CH3COO]- 330.119451 188.4
[M+Na-2H]- 292.080266 166.3
[M]+ 271.10505142 163.6
[M]- 271.10614858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe