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]+ 170.07872 125.0
[M+Na]+ 192.06066 133.0
[M-H]- 168.06416 124.5
[M+NH4]+ 187.10526 139.6
[M+K]+ 208.03460 130.3
[M+H-H2O]+ 152.06870 117.1
[M+HCOO]- 214.06964 143.5
[M+CH3COO]- 228.08529 181.9
[M+Na-2H]- 190.04611 130.6
[M]+ 169.07089 121.7
[M]- 169.07199 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.