CID 89017310

1187926-63-1

Structural Information

Molecular Formula
C8H16FNO2
SMILES
C[C@@H](CF)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H16FNO2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)/t6-/m0/s1
InChIKey
LCYJCLXHXXANCJ-LURJTMIESA-N
Compound name
tert-butyl N-[(2S)-1-fluoropropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.1165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12378 139.9
[M+Na]+ 200.10572 146.0
[M-H]- 176.10922 138.9
[M+NH4]+ 195.15032 160.1
[M+K]+ 216.07966 146.5
[M+H-H2O]+ 160.11376 134.4
[M+HCOO]- 222.11470 160.2
[M+CH3COO]- 236.13035 183.7
[M+Na-2H]- 198.09117 143.7
[M]+ 177.11595 140.1
[M]- 177.11705 140.1
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

patents stripe