CID 137704298

Tert-butyl n-(2,2-difluoro-1-methylcyclopropyl)carbamate

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
CC1(CC1(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H15F2NO2/c1-7(2,3)14-6(13)12-8(4)5-9(8,10)11/h5H2,1-4H3,(H,12,13)
InChIKey
JDBGQMPHAGWUOO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-difluoro-1-methylcyclopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10709 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11437 139.7
[M+Na]+ 230.09631 149.6
[M-H]- 206.09981 142.6
[M+NH4]+ 225.14091 157.9
[M+K]+ 246.07025 149.2
[M+H-H2O]+ 190.10435 135.5
[M+HCOO]- 252.10529 159.3
[M+CH3COO]- 266.12094 190.5
[M+Na-2H]- 228.08176 146.5
[M]+ 207.10654 142.5
[M]- 207.10764 142.5
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.