CID 83639441

2418670-67-2

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC(C(CC1=CC(=CC=C1)[N+](=O)[O-])N)O
InChI
InChI=1S/C10H14N2O3/c1-7(13)10(11)6-8-3-2-4-9(5-8)12(14)15/h2-5,7,10,13H,6,11H2,1H3
InChIKey
GNNZKRJYAYRESU-UHFFFAOYSA-N
Compound name
3-amino-4-(3-nitrophenyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 144.4
[M+Na]+ 233.08967 154.8
[M+NH4]+ 228.13427 151.4
[M+K]+ 249.06361 153.3
[M-H]- 209.09317 146.9
[M+Na-2H]- 231.07512 148.9
[M]+ 210.09990 146.2
[M]- 210.10100 146.2
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

No patent data available for this compound.