CID 45358255

3-amino-4,4,4-trifluorobutan-1-ol

Structural Information

Molecular Formula
C4H8F3NO
SMILES
C(CO)C(C(F)(F)F)N
InChI
InChI=1S/C4H8F3NO/c5-4(6,7)3(8)1-2-9/h3,9H,1-2,8H2
InChIKey
IUHWBCZMCVRCST-UHFFFAOYSA-N
Compound name
3-amino-4,4,4-trifluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

143.0558 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06308 125.2
[M+Na]+ 166.04502 132.3
[M-H]- 142.04852 120.0
[M+NH4]+ 161.08962 145.4
[M+K]+ 182.01896 131.3
[M+H-H2O]+ 126.05306 118.6
[M+HCOO]- 188.05400 143.0
[M+CH3COO]- 202.06965 173.3
[M+Na-2H]- 164.03047 129.5
[M]+ 143.05525 118.4
[M]- 143.05635 118.4
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