CID 113959

1-(3-butoxypropyl)-2-methylpiperidine

Structural Information

Molecular Formula
C13H27NO
SMILES
CCCCOCCCN1CCCCC1C
InChI
InChI=1S/C13H27NO/c1-3-4-11-15-12-7-10-14-9-6-5-8-13(14)2/h13H,3-12H2,1-2H3
InChIKey
QJOAUKVCMSZLOA-UHFFFAOYSA-N
Compound name
1-(3-butoxypropyl)-2-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.20926 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.21654 155.2
[M+Na]+ 236.19848 158.7
[M-H]- 212.20198 155.7
[M+NH4]+ 231.24308 172.6
[M+K]+ 252.17242 157.0
[M+H-H2O]+ 196.20652 147.9
[M+HCOO]- 258.20746 173.0
[M+CH3COO]- 272.22311 190.3
[M+Na-2H]- 234.18393 157.5
[M]+ 213.20871 154.6
[M]- 213.20981 154.6
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.