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]+ 138.10889 127.8
[M+Na]+ 160.09083 135.3
[M-H]- 136.09433 125.4
[M+NH4]+ 155.13543 149.4
[M+K]+ 176.06477 134.6
[M+H-H2O]+ 120.09887 122.6
[M+HCOO]- 182.09981 146.8
[M+CH3COO]- 196.11546 176.9
[M+Na-2H]- 158.07628 134.2
[M]+ 137.10106 123.6
[M]- 137.10216 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