CID 155858788

2580199-61-5

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC(=O)C1(CNC1)COCC2=CC=CC=C2
InChI
InChI=1S/C13H17NO3/c1-16-12(15)13(8-14-9-13)10-17-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
OUUJGGYRZVLFAV-UHFFFAOYSA-N
Compound name
methyl 3-(phenylmethoxymethyl)azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.9
[M+Na]+ 258.11007 160.2
[M+NH4]+ 253.15467 158.1
[M+K]+ 274.08401 154.8
[M-H]- 234.11357 152.5
[M+Na-2H]- 256.09552 158.7
[M]+ 235.12030 153.1
[M]- 235.12140 153.1
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.