CID 23394529

4,4-difluoro-1-methylpiperidine

Structural Information

Molecular Formula
C6H11F2N
SMILES
CN1CCC(CC1)(F)F
InChI
InChI=1S/C6H11F2N/c1-9-4-2-6(7,8)3-5-9/h2-5H2,1H3
InChIKey
LFHMKODCPPOLIB-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

913
Patents

135.08595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 124.7
[M+Na]+ 158.07517 132.2
[M-H]- 134.07867 124.2
[M+NH4]+ 153.11977 147.2
[M+K]+ 174.04911 131.3
[M+H-H2O]+ 118.08321 117.8
[M+HCOO]- 180.08415 142.5
[M+CH3COO]- 194.09980 172.2
[M+Na-2H]- 156.06062 130.8
[M]+ 135.08540 118.0
[M]- 135.08650 118.0
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