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

22
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 137.2
[M+Na]+ 206.076318 143.4
[M-H]- 182.079824 133.6
[M+NH4]+ 201.120923 156.8
[M+K]+ 222.050258 141.7
[M+H-H2O]+ 166.084360 129.7
[M+HCOO]- 228.085301 150.7
[M+CH3COO]- 242.100951 175.9
[M+Na-2H]- 204.061766 142.9
[M]+ 183.08655142 128.3
[M]- 183.08764858 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