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]+ 180.065516 134.3
[M+Na]+ 202.047458 141.9
[M-H]- 178.050964 137.9
[M+NH4]+ 197.092063 155.8
[M+K]+ 218.021398 135.5
[M+H-H2O]+ 162.055500 134.0
[M+HCOO]- 224.056441 157.9
[M+CH3COO]- 238.072091 171.9
[M+Na-2H]- 200.032906 141.7
[M]+ 179.05769142 131.5
[M]- 179.05878858 131.5
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