CID 53211736

1205749-28-5

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCC1(CCCNC1)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-3-9(8(11)12-2)5-4-6-10-7-9/h10H,3-7H2,1-2H3
InChIKey
AQMVNIAPISYBIJ-UHFFFAOYSA-N
Compound name
methyl 3-ethylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.0
[M+Na]+ 194.115148 144.8
[M-H]- 170.118654 140.0
[M+NH4]+ 189.159753 160.0
[M+K]+ 210.089088 143.8
[M+H-H2O]+ 154.123190 134.4
[M+HCOO]- 216.124131 157.0
[M+CH3COO]- 230.139781 175.3
[M+Na-2H]- 192.100596 144.6
[M]+ 171.12538142 136.0
[M]- 171.12647858 136.0
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

No patent data available for this compound.