CID 116590

2-butenoic acid, 3-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-, methyl ester

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(=CC(=O)OC)NC(=O)NC(C)(C)C
InChI
InChI=1S/C10H18N2O3/c1-7(6-8(13)15-5)11-9(14)12-10(2,3)4/h6H,1-5H3,(H2,11,12,14)
InChIKey
UXOROTUGAADVMK-UHFFFAOYSA-N
Compound name
methyl 3-(tert-butylcarbamoylamino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 150.9
[M+Na]+ 237.12096 155.7
[M-H]- 213.12446 151.1
[M+NH4]+ 232.16556 169.1
[M+K]+ 253.09490 155.9
[M+H-H2O]+ 197.12900 145.6
[M+HCOO]- 259.12994 172.3
[M+CH3COO]- 273.14559 191.8
[M+Na-2H]- 235.10641 153.4
[M]+ 214.13119 151.4
[M]- 214.13229 151.4
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.