CID 165911115

Tert-butyl 3-(1,1-difluoro-2-hydroxyethyl)-3-methoxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H19F2NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(CO)(F)F)OC
InChI
InChI=1S/C11H19F2NO4/c1-9(2,3)18-8(16)14-5-10(6-14,17-4)11(12,13)7-15/h15H,5-7H2,1-4H3
InChIKey
OPBYSPQSCDMCKT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1,1-difluoro-2-hydroxyethyl)-3-methoxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1282 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13548 162.0
[M+Na]+ 290.11742 167.3
[M-H]- 266.12092 160.3
[M+NH4]+ 285.16202 172.3
[M+K]+ 306.09136 170.0
[M+H-H2O]+ 250.12546 151.3
[M+HCOO]- 312.12640 174.5
[M+CH3COO]- 326.14205 196.1
[M+Na-2H]- 288.10287 165.5
[M]+ 267.12765 170.7
[M]- 267.12875 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.