CID 131413062

2260937-13-9

Structural Information

Molecular Formula
C8H13F2NO2
SMILES
COC(=O)C1(CCNCC1)C(F)F
InChI
InChI=1S/C8H13F2NO2/c1-13-7(12)8(6(9)10)2-4-11-5-3-8/h6,11H,2-5H2,1H3
InChIKey
KAGWNAQYKPBDLD-UHFFFAOYSA-N
Compound name
methyl 4-(difluoromethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09143 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09871 140.9
[M+Na]+ 216.08065 146.0
[M-H]- 192.08415 138.3
[M+NH4]+ 211.12525 159.7
[M+K]+ 232.05459 144.8
[M+H-H2O]+ 176.08869 133.6
[M+HCOO]- 238.08963 155.1
[M+CH3COO]- 252.10528 178.6
[M+Na-2H]- 214.06610 143.6
[M]+ 193.09088 133.5
[M]- 193.09198 133.5
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

No patent data available for this compound.