CID 112576

63133-96-0

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(CC1(C)C)C
InChI
InChI=1S/C14H20N2O2/c1-5-15-13-8-11(16(17)18)6-7-12(13)10(2)9-14(15,3)4/h6-8,10H,5,9H2,1-4H3
InChIKey
GKVIDQNXFZSJIB-UHFFFAOYSA-N
Compound name
1-ethyl-2,2,4-trimethyl-7-nitro-3,4-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 156.6
[M+Na]+ 271.14170 170.6
[M+NH4]+ 266.18630 166.6
[M+K]+ 287.11564 164.1
[M-H]- 247.14520 160.5
[M+Na-2H]- 269.12715 162.8
[M]+ 248.15193 159.8
[M]- 248.15303 159.8
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

No patent data available for this compound.