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

55
Patents

203.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 147.1
[M+Na]+ 226.156618 155.6
[M-H]- 202.160124 150.4
[M+NH4]+ 221.201223 168.8
[M+K]+ 242.130558 152.3
[M+H-H2O]+ 186.164660 140.8
[M+HCOO]- 248.165601 165.8
[M+CH3COO]- 262.181251 190.1
[M+Na-2H]- 224.142066 152.9
[M]+ 203.16685142 146.6
[M]- 203.16794858 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