CID 105431270

[4-(methoxymethyl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C8H17NO2
SMILES
COCC1(CCNCC1)CO
InChI
InChI=1S/C8H17NO2/c1-11-7-8(6-10)2-4-9-5-3-8/h9-10H,2-7H2,1H3
InChIKey
PKXYOOJRGUXESH-UHFFFAOYSA-N
Compound name
[4-(methoxymethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

159.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.2
[M+Na]+ 182.115148 141.9
[M-H]- 158.118654 135.8
[M+NH4]+ 177.159753 157.0
[M+K]+ 198.089088 140.3
[M+H-H2O]+ 142.123190 131.8
[M+HCOO]- 204.124131 153.8
[M+CH3COO]- 218.139781 170.4
[M+Na-2H]- 180.100596 143.0
[M]+ 159.12538142 132.4
[M]- 159.12647858 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

patents stripe