CID 105429314

4,4-difluoro-3,5-dimethylpiperidine hydrochloride

Structural Information

Molecular Formula
C7H13F2N
SMILES
CC1CNCC(C1(F)F)C
InChI
InChI=1S/C7H13F2N/c1-5-3-10-4-6(2)7(5,8)9/h5-6,10H,3-4H2,1-2H3
InChIKey
ZYRQFDWQZXHTCE-UHFFFAOYSA-N
Compound name
4,4-difluoro-3,5-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

149.10161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 129.5
[M+Na]+ 172.09083 137.1
[M-H]- 148.09433 127.8
[M+NH4]+ 167.13543 151.1
[M+K]+ 188.06477 135.0
[M+H-H2O]+ 132.09887 123.1
[M+HCOO]- 194.09981 145.4
[M+CH3COO]- 208.11546 173.7
[M+Na-2H]- 170.07628 133.8
[M]+ 149.10106 121.7
[M]- 149.10216 121.7
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