CID 53436759

2-propenoic acid, 2-methyl-, 2-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]ethyl ester

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC(=NOC(=O)NCCOC(=O)C(=C)C)C
InChI
InChI=1S/C11H18N2O4/c1-5-9(4)13-17-11(15)12-6-7-16-10(14)8(2)3/h2,5-7H2,1,3-4H3,(H,12,15)
InChIKey
AILNGZQURMVSDH-UHFFFAOYSA-N
Compound name
2-[(butan-2-ylideneamino)oxycarbonylamino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

146
Patents

242.12666 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 157.1
[M+Na]+ 265.115878 161.3
[M-H]- 241.119384 158.3
[M+NH4]+ 260.160483 174.4
[M+K]+ 281.089818 162.2
[M+H-H2O]+ 225.123920 150.5
[M+HCOO]- 287.124861 180.6
[M+CH3COO]- 301.140511 199.9
[M+Na-2H]- 263.101326 157.6
[M]+ 242.12611142 160.6
[M]- 242.12720858 160.6
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

patents stripe