CID 15146336

29950-12-7

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCOC1=C(C(=O)C1=O)N
InChI
InChI=1S/C6H7NO3/c1-2-10-6-3(7)4(8)5(6)9/h2,7H2,1H3
InChIKey
RMMBULJTXVBMPL-UHFFFAOYSA-N
Compound name
3-amino-4-ethoxycyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

141.04259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 122.6
[M+Na]+ 164.03181 132.0
[M-H]- 140.03531 127.0
[M+NH4]+ 159.07641 137.7
[M+K]+ 180.00575 134.2
[M+H-H2O]+ 124.03985 112.3
[M+HCOO]- 186.04079 148.6
[M+CH3COO]- 200.05644 179.8
[M+Na-2H]- 162.01726 128.2
[M]+ 141.04204 134.4
[M]- 141.04314 134.4
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