CID 14153814

1-methyl-4-[(methylamino)methyl]piperidin-4-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CNCC1(CCN(CC1)C)O
InChI
InChI=1S/C8H18N2O/c1-9-7-8(11)3-5-10(2)6-4-8/h9,11H,3-7H2,1-2H3
InChIKey
YUQFKXYKVOBONS-UHFFFAOYSA-N
Compound name
1-methyl-4-(methylaminomethyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 136.2
[M+Na]+ 181.131118 141.5
[M-H]- 157.134624 136.6
[M+NH4]+ 176.175723 156.8
[M+K]+ 197.105058 140.3
[M+H-H2O]+ 141.139160 130.7
[M+HCOO]- 203.140101 155.2
[M+CH3COO]- 217.155751 176.9
[M+Na-2H]- 179.116566 142.2
[M]+ 158.14135142 131.5
[M]- 158.14244858 131.5
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