CID 366063

Nsc634239

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCC1(CCCN(C1OCC)C(=O)OC(C)C)CCC#CC
InChI
InChI=1S/C18H31NO3/c1-6-9-10-12-18(7-2)13-11-14-19(16(18)21-8-3)17(20)22-15(4)5/h15-16H,7-8,10-14H2,1-5H3
InChIKey
YSUXJUISTCSALO-UHFFFAOYSA-N
Compound name
propan-2-yl 2-ethoxy-3-ethyl-3-pent-3-ynylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.237676 170.7
[M+Na]+ 332.219618 177.0
[M-H]- 308.223124 170.5
[M+NH4]+ 327.264223 184.7
[M+K]+ 348.193558 173.5
[M+H-H2O]+ 292.227660 158.5
[M+HCOO]- 354.228601 180.9
[M+CH3COO]- 368.244251 212.5
[M+Na-2H]- 330.205066 169.2
[M]+ 309.22985142 167.3
[M]- 309.23094858 167.3
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.