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]+ 242.10230 147.5
[M+Na]+ 264.08424 154.1
[M-H]- 240.08774 154.4
[M+NH4]+ 259.12884 158.5
[M+K]+ 280.05818 157.2
[M+H-H2O]+ 224.09228 136.8
[M+HCOO]- 286.09322 168.8
[M+CH3COO]- 300.10887 196.9
[M+Na-2H]- 262.06969 148.3
[M]+ 241.09447 159.3
[M]- 241.09557 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.