CID 393544

Nsc695606

Structural Information

Molecular Formula
C11H15NO5
SMILES
CN(C)C1=C(C(=O)C1=O)C2CC(C(O2)CO)O
InChI
InChI=1S/C11H15NO5/c1-12(2)9-8(10(15)11(9)16)6-3-5(14)7(4-13)17-6/h5-7,13-14H,3-4H2,1-2H3
InChIKey
LMWTXQXIXVGRBA-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09502 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.102296 147.5
[M+Na]+ 264.084238 154.1
[M-H]- 240.087744 154.4
[M+NH4]+ 259.128843 158.5
[M+K]+ 280.058178 157.2
[M+H-H2O]+ 224.092280 136.8
[M+HCOO]- 286.093221 168.8
[M+CH3COO]- 300.108871 196.9
[M+Na-2H]- 262.069686 148.3
[M]+ 241.09447142 159.3
[M]- 241.09556858 159.3
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.