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]+ 124.09323 125.1
[M+Na]+ 146.07517 131.2
[M-H]- 122.07867 122.3
[M+NH4]+ 141.11977 146.7
[M+K]+ 162.04911 131.4
[M+H-H2O]+ 106.08321 118.7
[M+HCOO]- 168.08415 144.4
[M+CH3COO]- 182.09980 176.4
[M+Na-2H]- 144.06062 126.7
[M]+ 123.08540 119.6
[M]- 123.08650 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.