CID 135394294

Tert-butyl 3-(fluoromethyl)-3-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H18FNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)CF
InChI
InChI=1S/C10H18FNO3/c1-9(2,3)15-8(14)12-5-10(4-11,6-12)7-13/h13H,4-7H2,1-3H3
InChIKey
SZLWYSVOQFBANJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(fluoromethyl)-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12708 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13436 151.8
[M+Na]+ 242.11630 157.4
[M-H]- 218.11980 151.5
[M+NH4]+ 237.16090 164.1
[M+K]+ 258.09024 159.7
[M+H-H2O]+ 202.12434 141.8
[M+HCOO]- 264.12528 167.1
[M+CH3COO]- 278.14093 188.1
[M+Na-2H]- 240.10175 155.3
[M]+ 219.12653 160.6
[M]- 219.12763 160.6
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.