CID 3047645

63867-74-3

Structural Information

Molecular Formula
C12H19N
SMILES
CC1(CC(=CC(N1C)(C)C)C#C)C
InChI
InChI=1S/C12H19N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h1,8H,9H2,2-6H3
InChIKey
UCGUPPBDCWQZJE-UHFFFAOYSA-N
Compound name
4-ethynyl-1,2,2,6,6-pentamethyl-3H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 134.4
[M+Na]+ 200.14097 146.2
[M-H]- 176.14447 136.5
[M+NH4]+ 195.18557 155.8
[M+K]+ 216.11491 141.7
[M+H-H2O]+ 160.14901 124.4
[M+HCOO]- 222.14995 149.0
[M+CH3COO]- 236.16560 192.7
[M+Na-2H]- 198.12642 139.4
[M]+ 177.15120 129.3
[M]- 177.15230 129.3
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.