CID 19425952

Methyl 2-(1-methylpiperidin-4-yl)acetate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN1CCC(CC1)CC(=O)OC
InChI
InChI=1S/C9H17NO2/c1-10-5-3-8(4-6-10)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey
BMFMUHLTSDBYKC-UHFFFAOYSA-N
Compound name
methyl 2-(1-methylpiperidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

171.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.0
[M+Na]+ 194.115148 144.3
[M-H]- 170.118654 140.4
[M+NH4]+ 189.159753 158.0
[M+K]+ 210.089088 143.9
[M+H-H2O]+ 154.123190 132.5
[M+HCOO]- 216.124131 157.5
[M+CH3COO]- 230.139781 179.5
[M+Na-2H]- 192.100596 142.3
[M]+ 171.12538142 136.9
[M]- 171.12647858 136.9
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