CID 45792666

3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one hydrochloride

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC(C1=CC=C(C=C1)N2CCOC2=O)N
InChI
InChI=1S/C11H14N2O2/c1-8(12)9-2-4-10(5-3-9)13-6-7-15-11(13)14/h2-5,8H,6-7,12H2,1H3
InChIKey
NOQQJKCCOAPYQL-UHFFFAOYSA-N
Compound name
3-[4-(1-aminoethyl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.5
[M+Na]+ 229.09475 152.3
[M-H]- 205.09825 151.1
[M+NH4]+ 224.13935 162.9
[M+K]+ 245.06869 151.0
[M+H-H2O]+ 189.10279 138.3
[M+HCOO]- 251.10373 166.6
[M+CH3COO]- 265.11938 186.8
[M+Na-2H]- 227.08020 148.2
[M]+ 206.10498 143.2
[M]- 206.10608 143.2
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.