CID 130003586

Tert-butyl n-(2,2-difluoro-1-(hydroxymethyl)cyclopropyl)carbamate

Structural Information

Molecular Formula
C9H15F2NO3
SMILES
CC(C)(C)OC(=O)NC1(CC1(F)F)CO
InChI
InChI=1S/C9H15F2NO3/c1-7(2,3)15-6(14)12-8(5-13)4-9(8,10)11/h13H,4-5H2,1-3H3,(H,12,14)
InChIKey
ANKDCFUBRRXQSC-UHFFFAOYSA-N
Compound name
tert-butyl N-[2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.102 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10928 142.6
[M+Na]+ 246.09122 152.1
[M-H]- 222.09472 144.0
[M+NH4]+ 241.13582 159.4
[M+K]+ 262.06516 151.1
[M+H-H2O]+ 206.09926 138.7
[M+HCOO]- 268.10020 160.9
[M+CH3COO]- 282.11585 190.0
[M+Na-2H]- 244.07667 149.2
[M]+ 223.10145 145.1
[M]- 223.10255 145.1
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.