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]+ 184.09438 137.7
[M+Na]+ 206.07632 144.0
[M-H]- 182.07982 134.7
[M+NH4]+ 201.12092 149.5
[M+K]+ 222.05026 145.0
[M+H-H2O]+ 166.08436 125.1
[M+HCOO]- 228.08530 152.3
[M+CH3COO]- 242.10095 182.6
[M+Na-2H]- 204.06177 141.5
[M]+ 183.08655 141.4
[M]- 183.08765 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.