CID 107369

5109-95-5

Structural Information

Molecular Formula
C14H21N
SMILES
CCN1C2=CC=CC=C2C(CC1(C)C)C
InChI
InChI=1S/C14H21N/c1-5-15-13-9-7-6-8-12(13)11(2)10-14(15,3)4/h6-9,11H,5,10H2,1-4H3
InChIKey
OPZGKIBDFSQFOG-UHFFFAOYSA-N
Compound name
1-ethyl-2,2,4-trimethyl-3,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

203.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 147.1
[M+Na]+ 226.15662 155.6
[M-H]- 202.16012 150.4
[M+NH4]+ 221.20122 168.8
[M+K]+ 242.13056 152.3
[M+H-H2O]+ 186.16466 140.8
[M+HCOO]- 248.16560 165.8
[M+CH3COO]- 262.18125 190.1
[M+Na-2H]- 224.14207 152.9
[M]+ 203.16685 146.6
[M]- 203.16795 146.6
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