CID 69928616

1232365-42-2

Structural Information

Molecular Formula
C10H17F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(F)F)CO
InChI
InChI=1S/C10H17F2NO3/c1-8(2,3)16-7(15)13-9(6-14)4-10(11,12)5-9/h14H,4-6H2,1-3H3,(H,13,15)
InChIKey
RNZVBWMKWVRXIY-UHFFFAOYSA-N
Compound name
tert-butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

237.11765 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12493 155.8
[M+Na]+ 260.10687 161.2
[M-H]- 236.11037 155.7
[M+NH4]+ 255.15147 170.1
[M+K]+ 276.08081 163.2
[M+H-H2O]+ 220.11491 146.5
[M+HCOO]- 282.11585 172.0
[M+CH3COO]- 296.13150 192.7
[M+Na-2H]- 258.09232 159.9
[M]+ 237.11710 162.4
[M]- 237.11820 162.4
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