CID 1419099

4-ethynyl-1-methylpiperidin-4-ol

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1CCC(CC1)(C#C)O
InChI
InChI=1S/C8H13NO/c1-3-8(10)4-6-9(2)7-5-8/h1,10H,4-7H2,2H3
InChIKey
DACKYLWJNMGQNC-UHFFFAOYSA-N
Compound name
4-ethynyl-1-methylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

139.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.2
[M+Na]+ 162.088938 137.4
[M-H]- 138.092444 128.0
[M+NH4]+ 157.133543 147.6
[M+K]+ 178.062878 133.8
[M+H-H2O]+ 122.096980 117.4
[M+HCOO]- 184.097921 141.3
[M+CH3COO]- 198.113571 179.7
[M+Na-2H]- 160.074386 133.4
[M]+ 139.09917142 118.9
[M]- 139.10026858 118.9
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