CID 84716517

1-(difluoromethoxy)-3-methylbutan-2-amine

Structural Information

Molecular Formula
C6H13F2NO
SMILES
CC(C)C(COC(F)F)N
InChI
InChI=1S/C6H13F2NO/c1-4(2)5(9)3-10-6(7)8/h4-6H,3,9H2,1-2H3
InChIKey
ZLJIKUAWCLUVDL-UHFFFAOYSA-N
Compound name
1-(difluoromethoxy)-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09653 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10381 132.8
[M+Na]+ 176.08575 138.5
[M-H]- 152.08925 129.9
[M+NH4]+ 171.13035 153.2
[M+K]+ 192.05969 138.9
[M+H-H2O]+ 136.09379 126.1
[M+HCOO]- 198.09473 152.1
[M+CH3COO]- 212.11038 181.4
[M+Na-2H]- 174.07120 133.9
[M]+ 153.09598 129.2
[M]- 153.09708 129.2
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.