CID 100616

65882-00-0

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC1=C(C=CC(=C1O)N=O)O
InChI
InChI=1S/C7H7NO3/c1-4-6(9)3-2-5(8-11)7(4)10/h2-3,9-10H,1H3
InChIKey
WKBLRSUVOPQYMO-UHFFFAOYSA-N
Compound name
2-methyl-4-nitrosobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

153.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 126.0
[M+Na]+ 176.031808 135.9
[M-H]- 152.035314 129.6
[M+NH4]+ 171.076413 146.8
[M+K]+ 192.005748 134.6
[M+H-H2O]+ 136.039850 120.9
[M+HCOO]- 198.040791 151.6
[M+CH3COO]- 212.056441 176.3
[M+Na-2H]- 174.017256 133.0
[M]+ 153.04204142 127.3
[M]- 153.04313858 127.3
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