CID 4153325

2-(aziridin-1-yl)-1-(4-nitrophenyl)ethanol

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1CN1CC(C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C10H12N2O3/c13-10(7-11-5-6-11)8-1-3-9(4-2-8)12(14)15/h1-4,10,13H,5-7H2
InChIKey
JVKAAEKOBOXXEW-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 146.8
[M+Na]+ 231.07402 160.5
[M+NH4]+ 226.11862 154.9
[M+K]+ 247.04796 158.9
[M-H]- 207.07752 156.8
[M+Na-2H]- 229.05947 155.4
[M]+ 208.08425 152.5
[M]- 208.08535 152.5
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

patents stripe