CID 58044696

2,2-difluoro-3,3-dimethylbutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13F2N
SMILES
CC(C)(C)C(CN)(F)F
InChI
InChI=1S/C6H13F2N/c1-5(2,3)6(7,8)4-9/h4,9H2,1-3H3
InChIKey
OFSKHYWHXLXZQY-UHFFFAOYSA-N
Compound name
2,2-difluoro-3,3-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.10161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.108886 127.8
[M+Na]+ 160.090828 135.3
[M-H]- 136.094334 125.4
[M+NH4]+ 155.135433 149.4
[M+K]+ 176.064768 134.6
[M+H-H2O]+ 120.098870 122.6
[M+HCOO]- 182.099811 146.8
[M+CH3COO]- 196.115461 176.9
[M+Na-2H]- 158.076276 134.2
[M]+ 137.10106142 123.6
[M]- 137.10215858 123.6
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