CID 130589679

1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol

Structural Information

Molecular Formula
C6H13F2NO
SMILES
CC(C)(C(C(F)F)O)NC
InChI
InChI=1S/C6H13F2NO/c1-6(2,9-3)4(10)5(7)8/h4-5,9-10H,1-3H3
InChIKey
YABHXQVFWODEQS-UHFFFAOYSA-N
Compound name
1,1-difluoro-3-methyl-3-(methylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09653 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10381 131.7
[M+Na]+ 176.08575 137.6
[M-H]- 152.08925 128.1
[M+NH4]+ 171.13035 151.8
[M+K]+ 192.05969 137.4
[M+H-H2O]+ 136.09379 125.8
[M+HCOO]- 198.09473 149.5
[M+CH3COO]- 212.11038 178.8
[M+Na-2H]- 174.07120 135.3
[M]+ 153.09598 127.3
[M]- 153.09708 127.3
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.