CID 137944064

2287273-29-2

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC1(CCC(NC1)CC(=O)OC)C
InChI
InChI=1S/C10H19NO2/c1-10(2)5-4-8(11-7-10)6-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKey
IENFKHJUWUJSME-UHFFFAOYSA-N
Compound name
methyl 2-(5,5-dimethylpiperidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.5
[M+Na]+ 208.13081 148.9
[M-H]- 184.13431 143.7
[M+NH4]+ 203.17541 163.3
[M+K]+ 224.10475 147.7
[M+H-H2O]+ 168.13885 138.1
[M+HCOO]- 230.13979 160.2
[M+CH3COO]- 244.15544 179.5
[M+Na-2H]- 206.11626 147.0
[M]+ 185.14104 140.3
[M]- 185.14214 140.3
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

No patent data available for this compound.