CID 155943261

2613383-87-0

Structural Information

Molecular Formula
C10H18F2N2O2
SMILES
CC1(CNCC1(F)F)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H18F2N2O2/c1-8(2,3)16-7(15)14-9(4)5-13-6-10(9,11)12/h13H,5-6H2,1-4H3,(H,14,15)
InChIKey
ZTBAJQBNNSKJHA-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,4-difluoro-3-methylpyrrolidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13364 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.140916 149.7
[M+Na]+ 259.122858 156.7
[M-H]- 235.126364 148.1
[M+NH4]+ 254.167463 171.2
[M+K]+ 275.096798 155.3
[M+H-H2O]+ 219.130900 144.5
[M+HCOO]- 281.131841 166.1
[M+CH3COO]- 295.147491 188.3
[M+Na-2H]- 257.108306 153.9
[M]+ 236.13309142 145.3
[M]- 236.13418858 145.3
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.