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

104
Patents

139.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 129.8
[M+Na]+ 162.08894 140.5
[M+NH4]+ 157.13354 135.8
[M+K]+ 178.06288 130.4
[M-H]- 138.09244 122.8
[M+Na-2H]- 160.07439 133.1
[M]+ 139.09917 128.5
[M]- 139.10027 128.5
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