CID 93130

5-nitro-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CCC2=C(C1)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKey
VXZHOWCMXKLZNY-UHFFFAOYSA-N
Compound name
5-nitro-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

177.07898 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 134.5
[M+Na]+ 200.068198 140.4
[M-H]- 176.071704 138.6
[M+NH4]+ 195.112803 154.6
[M+K]+ 216.042138 134.2
[M+H-H2O]+ 160.076240 133.2
[M+HCOO]- 222.077181 156.9
[M+CH3COO]- 236.092831 175.1
[M+Na-2H]- 198.053646 143.5
[M]+ 177.07843142 130.0
[M]- 177.07952858 130.0
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

patents stripe