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]+ 194.15395 145.8
[M+Na]+ 216.13589 154.0
[M-H]- 192.13939 144.4
[M+NH4]+ 211.18049 163.6
[M+K]+ 232.10983 146.7
[M+H-H2O]+ 176.14393 134.8
[M+HCOO]- 238.14487 153.5
[M+CH3COO]- 252.16052 187.6
[M+Na-2H]- 214.12134 148.8
[M]+ 193.14612 132.8
[M]- 193.14722 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.