CID 38444

2-methyl-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC1C(=CC2=CC=CC=C2O1)[N+](=O)[O-]
InChI
InChI=1S/C10H9NO3/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7/h2-7H,1H3
InChIKey
OVCYGDUUGRVRON-UHFFFAOYSA-N
Compound name
2-methyl-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

191.05824 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.2
[M+Na]+ 214.047458 144.1
[M-H]- 190.050964 141.8
[M+NH4]+ 209.092063 154.9
[M+K]+ 230.021398 139.2
[M+H-H2O]+ 174.055500 134.9
[M+HCOO]- 236.056441 159.4
[M+CH3COO]- 250.072091 177.9
[M+Na-2H]- 212.032906 146.6
[M]+ 191.05769142 135.7
[M]- 191.05878858 135.7
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