CID 601253

4-ethynyl-2-methyl-decahydro-quinolin-4-ol

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1CC(C2CCCCC2N1)(C#C)O
InChI
InChI=1S/C12H19NO/c1-3-12(14)8-9(2)13-11-7-5-4-6-10(11)12/h1,9-11,13-14H,4-8H2,2H3
InChIKey
CGXPLMNBJQMOOL-UHFFFAOYSA-N
Compound name
4-ethynyl-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.8
[M+Na]+ 216.135888 154.0
[M-H]- 192.139394 144.4
[M+NH4]+ 211.180493 163.6
[M+K]+ 232.109828 146.7
[M+H-H2O]+ 176.143930 134.8
[M+HCOO]- 238.144871 153.5
[M+CH3COO]- 252.160521 187.6
[M+Na-2H]- 214.121336 148.8
[M]+ 193.14612142 132.8
[M]- 193.14721858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.