CID 9553828

39684-61-2

Structural Information

Molecular Formula
C7H7NO4
SMILES
CO/N=C(/C1=CC=CO1)\C(=O)O
InChI
InChI=1S/C7H7NO4/c1-11-8-6(7(9)10)5-3-2-4-12-5/h2-4H,1H3,(H,9,10)/b8-6-
InChIKey
ZNQCEVIJOQZWLO-VURMDHGXSA-N
Compound name
(2Z)-2-(furan-2-yl)-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

169.0375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 132.3
[M+Na]+ 192.02672 139.4
[M-H]- 168.03022 136.8
[M+NH4]+ 187.07132 152.4
[M+K]+ 208.00066 140.8
[M+H-H2O]+ 152.03476 126.5
[M+HCOO]- 214.03570 157.6
[M+CH3COO]- 228.05135 177.6
[M+Na-2H]- 190.01217 138.1
[M]+ 169.03695 134.9
[M]- 169.03805 134.9
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