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]+ 237.14092 149.7
[M+Na]+ 259.12286 156.7
[M-H]- 235.12636 148.1
[M+NH4]+ 254.16746 171.2
[M+K]+ 275.09680 155.3
[M+H-H2O]+ 219.13090 144.5
[M+HCOO]- 281.13184 166.1
[M+CH3COO]- 295.14749 188.3
[M+Na-2H]- 257.10831 153.9
[M]+ 236.13309 145.3
[M]- 236.13419 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.