CID 50989716

3-amino-1-(trifluoromethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H8F3NO
SMILES
C1C(CC1(C(F)(F)F)O)N
InChI
InChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-3(9)2-4/h3,10H,1-2,9H2
InChIKey
AEVIMGJBSUCKLH-UHFFFAOYSA-N
Compound name
3-amino-1-(trifluoromethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

155.0558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.063076 130.7
[M+Na]+ 178.045018 137.6
[M-H]- 154.048524 129.3
[M+NH4]+ 173.089623 146.1
[M+K]+ 194.018958 138.9
[M+H-H2O]+ 138.053060 120.1
[M+HCOO]- 200.054001 147.4
[M+CH3COO]- 214.069651 177.8
[M+Na-2H]- 176.030466 135.6
[M]+ 155.05525142 131.6
[M]- 155.05634858 131.6
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

patents stripe