CID 105446076

1780656-45-2

Structural Information

Molecular Formula
C8H17FN2O2
SMILES
CC(C)(C)OC(=O)NCC(CN)F
InChI
InChI=1S/C8H17FN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKey
SFZLTHKXGXQZCY-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-2-fluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12741 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13469 144.4
[M+Na]+ 215.11663 149.5
[M-H]- 191.12013 142.8
[M+NH4]+ 210.16123 163.2
[M+K]+ 231.09057 149.7
[M+H-H2O]+ 175.12467 138.3
[M+HCOO]- 237.12561 165.1
[M+CH3COO]- 251.14126 188.1
[M+Na-2H]- 213.10208 147.3
[M]+ 192.12686 142.6
[M]- 192.12796 142.6
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.