CID 394542

Nsc698087

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CCN(CC)C1=C(C(=O)C1=O)N(CC)CC
InChI
InChI=1S/C12H20N2O2/c1-5-13(6-2)9-10(12(16)11(9)15)14(7-3)8-4/h5-8H2,1-4H3
InChIKey
YFAGDBJCYIUVGA-UHFFFAOYSA-N
Compound name
3,4-bis(diethylamino)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 154.8
[M+Na]+ 247.14170 160.9
[M-H]- 223.14520 161.4
[M+NH4]+ 242.18630 167.7
[M+K]+ 263.11564 164.4
[M+H-H2O]+ 207.14974 142.3
[M+HCOO]- 269.15068 180.9
[M+CH3COO]- 283.16633 207.6
[M+Na-2H]- 245.12715 156.5
[M]+ 224.15193 169.8
[M]- 224.15303 169.8
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

No patent data available for this compound.