CID 14341295

1-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H13N
SMILES
C#CCN1CCCC2=CC=CC=C21
InChI
InChI=1S/C12H13N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h1,3-4,6,8H,5,7,9-10H2
InChIKey
UJAYWFNXOADEQB-UHFFFAOYSA-N
Compound name
1-prop-2-ynyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.112076 137.2
[M+Na]+ 194.094018 146.9
[M-H]- 170.097524 138.0
[M+NH4]+ 189.138623 155.0
[M+K]+ 210.067958 140.5
[M+H-H2O]+ 154.102060 124.6
[M+HCOO]- 216.103001 151.2
[M+CH3COO]- 230.118651 148.1
[M+Na-2H]- 192.079466 143.3
[M]+ 171.10425142 129.2
[M]- 171.10534858 129.2
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