CID 18963725

1,1-difluoro-6-azaspiro[2.5]octane hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CNCCC12CC2(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)5-6(7)1-3-10-4-2-6/h10H,1-5H2
InChIKey
NESANIIIIJLTDB-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-azaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

147.08595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 131.0
[M+Na]+ 170.07517 139.8
[M-H]- 146.07867 132.3
[M+NH4]+ 165.11977 149.3
[M+K]+ 186.04911 138.1
[M+H-H2O]+ 130.08321 124.2
[M+HCOO]- 192.08415 146.8
[M+CH3COO]- 206.09980 173.9
[M+Na-2H]- 168.06062 138.2
[M]+ 147.08540 125.1
[M]- 147.08650 125.1
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