CID 105078936

1-(4,4-difluorocyclohexyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H17F2N
SMILES
CCC(C1CCC(CC1)(F)F)N
InChI
InChI=1S/C9H17F2N/c1-2-8(12)7-3-5-9(10,11)6-4-7/h7-8H,2-6,12H2,1H3
InChIKey
KCQYKWSVCFGZLA-UHFFFAOYSA-N
Compound name
1-(4,4-difluorocyclohexyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.1329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14018 139.2
[M+Na]+ 200.12212 144.3
[M-H]- 176.12562 139.0
[M+NH4]+ 195.16672 160.6
[M+K]+ 216.09606 142.6
[M+H-H2O]+ 160.13016 132.6
[M+HCOO]- 222.13110 156.6
[M+CH3COO]- 236.14675 183.6
[M+Na-2H]- 198.10757 141.5
[M]+ 177.13235 130.6
[M]- 177.13345 130.6
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

No patent data available for this compound.