CID 14919765

1,3-dimethyl 2-(benzyloxy)propanedioate

Structural Information

Molecular Formula
C12H14O5
SMILES
COC(=O)C(C(=O)OC)OCC1=CC=CC=C1
InChI
InChI=1S/C12H14O5/c1-15-11(13)10(12(14)16-2)17-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey
HZSPSPQZRIPFCH-UHFFFAOYSA-N
Compound name
dimethyl 2-phenylmethoxypropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

238.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 151.4
[M+Na]+ 261.07334 157.2
[M-H]- 237.07684 154.7
[M+NH4]+ 256.11794 168.6
[M+K]+ 277.04728 157.6
[M+H-H2O]+ 221.08138 144.7
[M+HCOO]- 283.08232 173.5
[M+CH3COO]- 297.09797 190.0
[M+Na-2H]- 259.05879 154.4
[M]+ 238.08357 156.2
[M]- 238.08467 156.2
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

patents stripe