CID 103984996

[3-(methoxymethyl)piperidin-3-yl]methanol

Structural Information

Molecular Formula
C8H17NO2
SMILES
COCC1(CCCNC1)CO
InChI
InChI=1S/C8H17NO2/c1-11-7-8(6-10)3-2-4-9-5-8/h9-10H,2-7H2,1H3
InChIKey
FPADMFCNFUPHHD-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.2
[M+Na]+ 182.11515 141.9
[M-H]- 158.11865 135.8
[M+NH4]+ 177.15975 157.0
[M+K]+ 198.08909 140.3
[M+H-H2O]+ 142.12319 131.8
[M+HCOO]- 204.12413 153.8
[M+CH3COO]- 218.13978 170.4
[M+Na-2H]- 180.10060 143.0
[M]+ 159.12538 132.4
[M]- 159.12648 132.4
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.