CID 46218912

1173203-26-3

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)N1CC(OC1=O)COC2=CC=C(C=C2)C=O
InChI
InChI=1S/C14H17NO4/c1-10(2)15-7-13(19-14(15)17)9-18-12-5-3-11(8-16)4-6-12/h3-6,8,10,13H,7,9H2,1-2H3
InChIKey
BNPFYOSKJDWANL-UHFFFAOYSA-N
Compound name
4-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.5
[M+Na]+ 286.10497 165.8
[M-H]- 262.10847 164.5
[M+NH4]+ 281.14957 174.3
[M+K]+ 302.07891 164.8
[M+H-H2O]+ 246.11301 151.2
[M+HCOO]- 308.11395 178.8
[M+CH3COO]- 322.12960 196.2
[M+Na-2H]- 284.09042 159.7
[M]+ 263.11520 161.5
[M]- 263.11630 161.5
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

No patent data available for this compound.