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]+ 249.159756 155.9
[M+Na]+ 271.141698 163.8
[M-H]- 247.145204 159.4
[M+NH4]+ 266.186303 174.9
[M+K]+ 287.115638 157.0
[M+H-H2O]+ 231.149740 154.2
[M+HCOO]- 293.150681 175.6
[M+CH3COO]- 307.166331 192.7
[M+Na-2H]- 269.127146 162.4
[M]+ 248.15193142 154.8
[M]- 248.15302858 154.8
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.