CID 6435683

3-((5,5-dimethyl-2-oxotetrahydro-3-furyl)carbamoyl)acrylic acid 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]+ 256.11795 155.3
[M+Na]+ 278.09989 161.7
[M-H]- 254.10339 159.4
[M+NH4]+ 273.14449 174.5
[M+K]+ 294.07383 161.9
[M+H-H2O]+ 238.10793 150.9
[M+HCOO]- 300.10887 176.6
[M+CH3COO]- 314.12452 194.7
[M+Na-2H]- 276.08534 157.3
[M]+ 255.11012 158.0
[M]- 255.11122 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.