CID 12025111

Phenyl 3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1C(CN1C(=O)OC2=CC=CC=C2)O
InChI
InChI=1S/C10H11NO3/c12-8-6-11(7-8)10(13)14-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2
InChIKey
YEJDNGGGLVFJJX-UHFFFAOYSA-N
Compound name
phenyl 3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 137.6
[M+Na]+ 216.06312 143.3
[M-H]- 192.06662 141.4
[M+NH4]+ 211.10772 148.4
[M+K]+ 232.03706 144.9
[M+H-H2O]+ 176.07116 125.3
[M+HCOO]- 238.07210 157.1
[M+CH3COO]- 252.08775 181.9
[M+Na-2H]- 214.04857 142.6
[M]+ 193.07335 145.4
[M]- 193.07445 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe