CID 66751263

912444-78-1

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1(CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C14H17NO4/c1-14(12(16)18-2)9-15(10-14)13(17)19-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
CWEGURJYRSTPQC-UHFFFAOYSA-N
Compound name
1-O-benzyl 3-O-methyl 3-methylazetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

263.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.9
[M+Na]+ 286.10497 167.2
[M+NH4]+ 281.14957 164.4
[M+K]+ 302.07891 162.6
[M-H]- 262.10847 159.1
[M+Na-2H]- 284.09042 164.9
[M]+ 263.11520 160.0
[M]- 263.11630 160.0
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