CID 54595511

6-fluoro-2-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C6H10FN
SMILES
C1C(CC12CNC2)F
InChI
InChI=1S/C6H10FN/c7-5-1-6(2-5)3-8-4-6/h5,8H,1-4H2
InChIKey
RCAFANHNHZOIQN-UHFFFAOYSA-N
Compound name
6-fluoro-2-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

115.07973 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.087006 116.1
[M+Na]+ 138.068948 121.5
[M-H]- 114.072454 118.2
[M+NH4]+ 133.113553 125.7
[M+K]+ 154.042888 125.1
[M+H-H2O]+ 98.076990 102.7
[M+HCOO]- 160.077931 132.2
[M+CH3COO]- 174.093581 180.2
[M+Na-2H]- 136.054396 123.2
[M]+ 115.07918142 127.3
[M]- 115.08027858 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe