CID 13155316

3-ethynyl-1-methylpiperidin-3-ol hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1CCCC(C1)(C#C)O
InChI
InChI=1S/C8H13NO/c1-3-8(10)5-4-6-9(2)7-8/h1,10H,4-7H2,2H3
InChIKey
JKRLPDKUXIPPEC-UHFFFAOYSA-N
Compound name
3-ethynyl-1-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 128.2
[M+Na]+ 162.08894 137.4
[M-H]- 138.09244 128.0
[M+NH4]+ 157.13354 147.6
[M+K]+ 178.06288 133.8
[M+H-H2O]+ 122.09698 117.4
[M+HCOO]- 184.09792 141.3
[M+CH3COO]- 198.11357 179.7
[M+Na-2H]- 160.07439 133.4
[M]+ 139.09917 118.9
[M]- 139.10027 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