CID 54595514

4-methoxy-4-(trifluoromethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H12F3NO
SMILES
COC1(CCNCC1)C(F)(F)F
InChI
InChI=1S/C7H12F3NO/c1-12-6(7(8,9)10)2-4-11-5-3-6/h11H,2-5H2,1H3
InChIKey
QANLUEMLYOYQIZ-UHFFFAOYSA-N
Compound name
4-methoxy-4-(trifluoromethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 137.2
[M+Na]+ 206.07632 143.4
[M-H]- 182.07982 133.6
[M+NH4]+ 201.12092 156.8
[M+K]+ 222.05026 141.7
[M+H-H2O]+ 166.08436 129.7
[M+HCOO]- 228.08530 150.7
[M+CH3COO]- 242.10095 175.9
[M+Na-2H]- 204.06177 142.9
[M]+ 183.08655 128.3
[M]- 183.08765 128.3
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