CID 93517862

(1s)-4-nitro-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC2=C([C@H]1O)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H9NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3,9,11H,4-5H2/t9-/m0/s1
InChIKey
LZMRRYRIKGREQH-VIFPVBQESA-N
Compound name
(1S)-4-nitro-2,3-dihydro-1H-inden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 133.6
[M+Na]+ 202.04746 145.8
[M+NH4]+ 197.09206 142.7
[M+K]+ 218.02140 144.5
[M-H]- 178.05096 136.6
[M+Na-2H]- 200.03291 138.4
[M]+ 179.05769 135.9
[M]- 179.05879 135.9
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