CID 53401460

2126177-46-4

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CNCCC1(CO)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)6(5-12)1-3-11-4-2-6/h11-12H,1-5H2
InChIKey
PPNUUANHKROZNO-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.0871 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 137.9
[M+Na]+ 206.07632 143.7
[M-H]- 182.07982 132.8
[M+NH4]+ 201.12092 156.7
[M+K]+ 222.05026 141.0
[M+H-H2O]+ 166.08436 130.6
[M+HCOO]- 228.08530 149.9
[M+CH3COO]- 242.10095 173.3
[M+Na-2H]- 204.06177 143.1
[M]+ 183.08655 127.1
[M]- 183.08765 127.1
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