CID 83853840

3,3-difluoro-4-methylpentan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13F2N
SMILES
CC(C)C(CCN)(F)F
InChI
InChI=1S/C6H13F2N/c1-5(2)6(7,8)3-4-9/h5H,3-4,9H2,1-2H3
InChIKey
CWTJFPIRAHOEDZ-UHFFFAOYSA-N
Compound name
3,3-difluoro-4-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.108886 128.4
[M+Na]+ 160.090828 135.1
[M-H]- 136.094334 125.7
[M+NH4]+ 155.135433 149.8
[M+K]+ 176.064768 134.4
[M+H-H2O]+ 120.098870 122.5
[M+HCOO]- 182.099811 147.9
[M+CH3COO]- 196.115461 177.9
[M+Na-2H]- 158.076276 132.8
[M]+ 137.10106142 124.2
[M]- 137.10215858 124.2
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.