CID 3002897

2-cyclopentyl-8-nitro-quinoline

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1CCC(C1)C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2
InChI
InChI=1S/C14H14N2O2/c17-16(18)13-7-3-6-11-8-9-12(15-14(11)13)10-4-1-2-5-10/h3,6-10H,1-2,4-5H2
InChIKey
MHFQENFTEYDRPD-UHFFFAOYSA-N
Compound name
2-cyclopentyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 153.3
[M+Na]+ 265.09475 159.1
[M-H]- 241.09825 159.3
[M+NH4]+ 260.13935 170.9
[M+K]+ 281.06869 151.3
[M+H-H2O]+ 225.10279 149.9
[M+HCOO]- 287.10373 175.0
[M+CH3COO]- 301.11938 186.7
[M+Na-2H]- 263.08020 159.6
[M]+ 242.10498 149.0
[M]- 242.10608 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.