CID 239253

Nsc44166

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCC1CCC(N(C1)C(=O)OC(C)C)C
InChI
InChI=1S/C12H23NO2/c1-5-11-7-6-10(4)13(8-11)12(14)15-9(2)3/h9-11H,5-8H2,1-4H3
InChIKey
MQPGXIUCKGYTSQ-UHFFFAOYSA-N
Compound name
propan-2-yl 5-ethyl-2-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 152.0
[M+Na]+ 236.16210 156.9
[M-H]- 212.16560 153.5
[M+NH4]+ 231.20670 169.7
[M+K]+ 252.13604 156.3
[M+H-H2O]+ 196.17014 145.6
[M+HCOO]- 258.17108 168.6
[M+CH3COO]- 272.18673 190.0
[M+Na-2H]- 234.14755 151.9
[M]+ 213.17233 150.8
[M]- 213.17343 150.8
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.