CID 2990

Dephostatin

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CN(C1=C(C=CC(=C1)O)O)N=O
InChI
InChI=1S/C7H8N2O3/c1-9(8-12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3
InChIKey
HCJOLYFWJWJPTJ-UHFFFAOYSA-N
Compound name
N-(2,5-dihydroxyphenyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

278
Patents

168.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.3
[M+Na]+ 191.04272 138.5
[M-H]- 167.04622 134.9
[M+NH4]+ 186.08732 150.4
[M+K]+ 207.01666 138.5
[M+H-H2O]+ 151.05076 124.2
[M+HCOO]- 213.05170 157.4
[M+CH3COO]- 227.06735 183.6
[M+Na-2H]- 189.02817 137.5
[M]+ 168.05295 131.7
[M]- 168.05405 131.7
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