CID 90472028

Humic acid

Structural Information

Molecular Formula
C9H9NO6
SMILES
C1C2C=CC1C(C2C(=O)O)(C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6/c11-7(12)6-4-1-2-5(3-4)9(6,8(13)14)10(15)16/h1-2,4-6H,3H2,(H,11,12)(H,13,14)
InChIKey
QJZYHAIUNVAGQP-UHFFFAOYSA-N
Compound name
2-nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7964
References

45686
Patents

227.04298 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05026 145.1
[M+Na]+ 250.03220 151.5
[M+NH4]+ 245.07680 152.2
[M+K]+ 266.00614 154.2
[M-H]- 226.03570 142.8
[M+Na-2H]- 248.01765 144.9
[M]+ 227.04243 144.7
[M]- 227.04353 144.7
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