CID 63899819

3-(cyclopropylamino)-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C6H10F3NO
SMILES
C1CC1NCC(C(F)(F)F)O
InChI
InChI=1S/C6H10F3NO/c7-6(8,9)5(11)3-10-4-1-2-4/h4-5,10-11H,1-3H2
InChIKey
WBTIYYFLOYMEDV-UHFFFAOYSA-N
Compound name
3-(cyclopropylamino)-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.07144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.078716 125.0
[M+Na]+ 192.060658 133.0
[M-H]- 168.064164 124.5
[M+NH4]+ 187.105263 139.6
[M+K]+ 208.034598 130.3
[M+H-H2O]+ 152.068700 117.1
[M+HCOO]- 214.069641 143.5
[M+CH3COO]- 228.085291 181.9
[M+Na-2H]- 190.046106 130.6
[M]+ 169.07089142 121.7
[M]- 169.07198858 121.7
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.