CID 65985318

[1-(3,3,3-trifluoropropyl)azetidin-3-yl]methanol

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1C(CN1CCC(F)(F)F)CO
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)1-2-11-3-6(4-11)5-12/h6,12H,1-5H2
InChIKey
WKWKDIIWJZSMNN-UHFFFAOYSA-N
Compound name
[1-(3,3,3-trifluoropropyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0871 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 137.7
[M+Na]+ 206.076318 144.0
[M-H]- 182.079824 134.7
[M+NH4]+ 201.120923 149.5
[M+K]+ 222.050258 145.0
[M+H-H2O]+ 166.084360 125.1
[M+HCOO]- 228.085301 152.3
[M+CH3COO]- 242.100951 182.6
[M+Na-2H]- 204.061766 141.5
[M]+ 183.08655142 141.4
[M]- 183.08764858 141.4
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

No patent data available for this compound.