CID 388478

2-methyl-4-(1-methyl-3,6-dihydro-2h-pyridin-4-yl)but-3-yn-2-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(C#CC1=CCN(CC1)C)O
InChI
InChI=1S/C11H17NO/c1-11(2,13)7-4-10-5-8-12(3)9-6-10/h5,13H,6,8-9H2,1-3H3
InChIKey
INAVOOLPGKBJMC-UHFFFAOYSA-N
Compound name
2-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 143.0
[M+Na]+ 202.12023 151.3
[M-H]- 178.12373 142.4
[M+NH4]+ 197.16483 159.3
[M+K]+ 218.09417 147.7
[M+H-H2O]+ 162.12827 131.4
[M+HCOO]- 224.12921 154.9
[M+CH3COO]- 238.14486 187.0
[M+Na-2H]- 200.10568 146.8
[M]+ 179.13046 134.9
[M]- 179.13156 134.9
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

No patent data available for this compound.