CID 3025136

102207-30-7

Structural Information

Molecular Formula
C8H18NO
SMILES
C[N+]1(CCC(CC1)CO)C
InChI
InChI=1S/C8H18NO/c1-9(2)5-3-8(7-10)4-6-9/h8,10H,3-7H2,1-2H3/q+1
InChIKey
IDRHCLRJCWHDGQ-UHFFFAOYSA-N
Compound name
(1,1-dimethylpiperidin-1-ium-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

144.13884 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.14612 130.5
[M+Na]+ 167.12806 136.6
[M-H]- 143.13156 131.3
[M+NH4]+ 162.17266 152.1
[M+K]+ 183.10200 129.9
[M+H-H2O]+ 127.13610 128.4
[M+HCOO]- 189.13704 148.1
[M+CH3COO]- 203.15269 165.4
[M+Na-2H]- 165.11351 138.6
[M]+ 144.13829 124.8
[M]- 144.13939 124.8
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

patents stripe