CID 6435683

Acrylic acid, 3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)-, ethyl ester

Structural Information

Molecular Formula
C12H17NO5
SMILES
CCOC(=O)/C=C/C(=O)NC1CC(OC1=O)(C)C
InChI
InChI=1S/C12H17NO5/c1-4-17-10(15)6-5-9(14)13-8-7-12(2,3)18-11(8)16/h5-6,8H,4,7H2,1-3H3,(H,13,14)/b6-5+
InChIKey
NHHZLDPXOJULLC-AATRIKPKSA-N
Compound name
ethyl (E)-4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11067 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.117946 155.3
[M+Na]+ 278.099888 161.7
[M-H]- 254.103394 159.4
[M+NH4]+ 273.144493 174.5
[M+K]+ 294.073828 161.9
[M+H-H2O]+ 238.107930 150.9
[M+HCOO]- 300.108871 176.6
[M+CH3COO]- 314.124521 194.7
[M+Na-2H]- 276.085336 157.3
[M]+ 255.11012142 158.0
[M]- 255.11121858 158.0
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.