CID 146148459

2418674-63-0

Structural Information

Molecular Formula
C14H17NO4
SMILES
COC(=O)C1(CCN1CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C14H17NO4/c1-18-12(16)14(13(17)19-2)8-9-15(14)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
NTIBJYMYEBRMHZ-UHFFFAOYSA-N
Compound name
dimethyl 1-benzylazetidine-2,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.4
[M+Na]+ 286.10497 164.4
[M-H]- 262.10847 164.3
[M+NH4]+ 281.14957 169.8
[M+K]+ 302.07891 166.6
[M+H-H2O]+ 246.11301 147.2
[M+HCOO]- 308.11395 178.3
[M+CH3COO]- 322.12960 197.6
[M+Na-2H]- 284.09042 162.4
[M]+ 263.11520 170.7
[M]- 263.11630 170.7
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.