CID 71757806

3,3-difluorocycloheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
C1CCC(CC(C1)N)(F)F
InChI
InChI=1S/C7H13F2N/c8-7(9)4-2-1-3-6(10)5-7/h6H,1-5,10H2
InChIKey
IGVISOHTYUJWKZ-UHFFFAOYSA-N
Compound name
3,3-difluorocycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 121.9
[M+Na]+ 172.09083 126.0
[M-H]- 148.09433 123.2
[M+NH4]+ 167.13543 142.8
[M+K]+ 188.06477 128.5
[M+H-H2O]+ 132.09887 115.9
[M+HCOO]- 194.09981 140.3
[M+CH3COO]- 208.11546 178.8
[M+Na-2H]- 170.07628 126.6
[M]+ 149.10106 110.5
[M]- 149.10216 110.5
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.