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]+ 145.146116 130.5
[M+Na]+ 167.128058 136.6
[M-H]- 143.131564 131.3
[M+NH4]+ 162.172663 152.1
[M+K]+ 183.101998 129.9
[M+H-H2O]+ 127.136100 128.4
[M+HCOO]- 189.137041 148.1
[M+CH3COO]- 203.152691 165.4
[M+Na-2H]- 165.113506 138.6
[M]+ 144.13829142 124.8
[M]- 144.13938858 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