CID 65953055

Phenyl 3-hydroxy-3-methylazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1(CN(C1)C(=O)OC2=CC=CC=C2)O
InChI
InChI=1S/C11H13NO3/c1-11(14)7-12(8-11)10(13)15-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKey
JKKVDTYOHWNKSR-UHFFFAOYSA-N
Compound name
phenyl 3-hydroxy-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.3
[M+Na]+ 230.07876 150.6
[M-H]- 206.08226 148.5
[M+NH4]+ 225.12336 156.6
[M+K]+ 246.05270 152.0
[M+H-H2O]+ 190.08680 133.1
[M+HCOO]- 252.08774 163.5
[M+CH3COO]- 266.10339 184.3
[M+Na-2H]- 228.06421 149.7
[M]+ 207.08899 152.8
[M]- 207.09009 152.8
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.