CID 217270

38370-78-4

Structural Information

Molecular Formula
C15H29NO2
SMILES
CCCC(C)(C)C(=O)OCCCN1CCCCC1
InChI
InChI=1S/C15H29NO2/c1-4-9-15(2,3)14(17)18-13-8-12-16-10-6-5-7-11-16/h4-13H2,1-3H3
InChIKey
VHCMHUPUKLWLSN-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.21983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.227106 166.5
[M+Na]+ 278.209048 168.7
[M-H]- 254.212554 166.7
[M+NH4]+ 273.253653 181.9
[M+K]+ 294.182988 167.3
[M+H-H2O]+ 238.217090 159.3
[M+HCOO]- 300.218031 181.5
[M+CH3COO]- 314.233681 196.8
[M+Na-2H]- 276.194496 168.1
[M]+ 255.21928142 165.9
[M]- 255.22037858 165.9
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

No patent data available for this compound.