CID 65813955

Tert-butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C14H18FNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3
InChIKey
VCXNRDAARDRDKJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

267.12708 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13436 162.3
[M+Na]+ 290.11630 168.6
[M-H]- 266.11980 165.2
[M+NH4]+ 285.16090 172.6
[M+K]+ 306.09024 169.4
[M+H-H2O]+ 250.12434 150.5
[M+HCOO]- 312.12528 177.8
[M+CH3COO]- 326.14093 196.6
[M+Na-2H]- 288.10175 165.5
[M]+ 267.12653 170.5
[M]- 267.12763 170.5
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