CID 58458216

3-fluoro-3-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C6H12FN
SMILES
CC1(CCCNC1)F
InChI
InChI=1S/C6H12FN/c1-6(7)3-2-4-8-5-6/h8H,2-5H2,1H3
InChIKey
ZNUPLHUOEAEDIJ-UHFFFAOYSA-N
Compound name
3-fluoro-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

117.095375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.10265 123.8
[M+Na]+ 140.08459 129.8
[M-H]- 116.08810 122.8
[M+NH4]+ 135.12920 146.0
[M+K]+ 156.05853 128.4
[M+H-H2O]+ 100.09264 117.9
[M+HCOO]- 162.09358 141.1
[M+CH3COO]- 176.10923 165.6
[M+Na-2H]- 138.07004 130.5
[M]+ 117.09483 116.0
[M]- 117.09592 116.0
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