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

68
Patents

155.0558 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06308 130.7
[M+Na]+ 178.04502 137.6
[M-H]- 154.04852 129.3
[M+NH4]+ 173.08962 146.1
[M+K]+ 194.01896 138.9
[M+H-H2O]+ 138.05306 120.1
[M+HCOO]- 200.05400 147.4
[M+CH3COO]- 214.06965 177.8
[M+Na-2H]- 176.03047 135.6
[M]+ 155.05525 131.6
[M]- 155.05635 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