CID 54594752

3,3-difluoro-8-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C7H11F2N
SMILES
C1CC2CC(CC1N2)(F)F
InChI
InChI=1S/C7H11F2N/c8-7(9)3-5-1-2-6(4-7)10-5/h5-6,10H,1-4H2
InChIKey
AKJFMHVBXXBGNT-UHFFFAOYSA-N
Compound name
3,3-difluoro-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

147.08595 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 128.7
[M+Na]+ 170.07517 136.3
[M-H]- 146.07867 126.1
[M+NH4]+ 165.11977 153.4
[M+K]+ 186.04911 133.2
[M+H-H2O]+ 130.08321 122.3
[M+HCOO]- 192.08415 143.7
[M+CH3COO]- 206.09980 140.8
[M+Na-2H]- 168.06062 134.1
[M]+ 147.08540 120.6
[M]- 147.08650 120.6
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

patents stripe