CID 53415823

1-amino-5,5,5-trifluoropentan-2-ol hydrochloride

Structural Information

Molecular Formula
C5H10F3NO
SMILES
C(CC(F)(F)F)C(CN)O
InChI
InChI=1S/C5H10F3NO/c6-5(7,8)2-1-4(10)3-9/h4,10H,1-3,9H2
InChIKey
TWWZAJFYHWSJHX-UHFFFAOYSA-N
Compound name
1-amino-5,5,5-trifluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.07144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.078716 129.9
[M+Na]+ 180.060658 136.6
[M-H]- 156.064164 124.5
[M+NH4]+ 175.105263 149.6
[M+K]+ 196.034598 135.3
[M+H-H2O]+ 140.068700 123.1
[M+HCOO]- 202.069641 147.4
[M+CH3COO]- 216.085291 176.4
[M+Na-2H]- 178.046106 133.6
[M]+ 157.07089142 123.4
[M]- 157.07198858 123.4
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

patents stripe