CID 25260281

1-boc-3-fluoroazetidine-3-methanol

Structural Information

Molecular Formula
C9H16FNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)F
InChI
InChI=1S/C9H16FNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6H2,1-3H3
InChIKey
BONSKTIHNARTGJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

205.11142 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11870 147.2
[M+Na]+ 228.10064 153.2
[M-H]- 204.10414 147.0
[M+NH4]+ 223.14524 160.0
[M+K]+ 244.07458 155.7
[M+H-H2O]+ 188.10868 137.3
[M+HCOO]- 250.10962 162.8
[M+CH3COO]- 264.12527 185.2
[M+Na-2H]- 226.08609 151.1
[M]+ 205.11087 155.6
[M]- 205.11197 155.6
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