CID 10773741

188770-83-4

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])O

InChI

InChI=1S/C9H11NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,9,11H,2H2,1H3/t9-/m0/s1

InChIKey

LSEJDXFJBNGGBI-VIFPVBQESA-N

Compound name

(1S)-1-(3-nitrophenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 181.0739 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.08118	136.1
[M+Na]+	204.06312	148.7
[M+NH4]+	199.10772	144.1
[M+K]+	220.03706	146.0
[M-H]-	180.06662	138.8
[M+Na-2H]-	202.04857	142.1
[M]+	181.07335	138.5
[M]-	181.07445	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe