CID 112562685

2-fluoro-2-(oxolan-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H12FNO
SMILES
C1COCC1C(CN)F
InChI
InChI=1S/C6H12FNO/c7-6(3-8)5-1-2-9-4-5/h5-6H,1-4,8H2
InChIKey
AITAJQWNJLAGSF-UHFFFAOYSA-N
Compound name
2-fluoro-2-(oxolan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.09029 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.097566 127.5
[M+Na]+ 156.079508 132.8
[M-H]- 132.083014 129.3
[M+NH4]+ 151.124113 148.9
[M+K]+ 172.053448 133.3
[M+H-H2O]+ 116.087550 121.2
[M+HCOO]- 178.088491 148.3
[M+CH3COO]- 192.104141 172.7
[M+Na-2H]- 154.064956 131.3
[M]+ 133.08974142 122.4
[M]- 133.09083858 122.4
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.