CID 216092

37096-79-0

Structural Information

Molecular Formula
C13H27NO
SMILES
CC(CCCC(C)(C)O)N1CCCCC1
InChI
InChI=1S/C13H27NO/c1-12(8-7-9-13(2,3)15)14-10-5-4-6-11-14/h12,15H,4-11H2,1-3H3
InChIKey
XIPNEDIZSCLOAX-UHFFFAOYSA-N
Compound name
2-methyl-6-piperidin-1-ylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.20926 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.21654 156.2
[M+Na]+ 236.19848 158.5
[M-H]- 212.20198 155.3
[M+NH4]+ 231.24308 172.6
[M+K]+ 252.17242 156.7
[M+H-H2O]+ 196.20652 149.8
[M+HCOO]- 258.20746 169.9
[M+CH3COO]- 272.22311 187.7
[M+Na-2H]- 234.18393 158.2
[M]+ 213.20871 152.2
[M]- 213.20981 152.2
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.