CID 12174225

2411179-68-3

Structural Information

Molecular Formula
C5H11F2N
SMILES
CC(C)[C@@H](C(F)F)N
InChI
InChI=1S/C5H11F2N/c1-3(2)4(8)5(6)7/h3-5H,8H2,1-2H3/t4-/m0/s1
InChIKey
DVZXECSZXQCXPG-BYPYZUCNSA-N
Compound name
(2S)-1,1-difluoro-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.08595 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.093226 125.1
[M+Na]+ 146.075168 131.2
[M-H]- 122.078674 122.3
[M+NH4]+ 141.119773 146.7
[M+K]+ 162.049108 131.4
[M+H-H2O]+ 106.083210 118.7
[M+HCOO]- 168.084151 144.4
[M+CH3COO]- 182.099801 176.4
[M+Na-2H]- 144.060616 126.7
[M]+ 123.08540142 119.6
[M]- 123.08649858 119.6
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

No patent data available for this compound.