CID 137347566

2231677-13-5

Structural Information

Molecular Formula
C10H17F2NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)C(F)F
InChI
InChI=1S/C10H17F2NO3/c1-9(2,3)16-8(15)13-4-10(5-13,6-14)7(11)12/h7,14H,4-6H2,1-3H3
InChIKey
ZMMUSSLRVSHJBR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(difluoromethyl)-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11765 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12493 162.4
[M+Na]+ 260.10687 164.4
[M+NH4]+ 255.15147 163.8
[M+K]+ 276.08081 161.7
[M-H]- 236.11037 154.7
[M+Na-2H]- 258.09232 161.1
[M]+ 237.11710 159.0
[M]- 237.11820 159.0
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.