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
1
Annotation Hits

0
References

145
Patents

242.12666 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 157.1
[M+Na]+ 265.11588 161.3
[M-H]- 241.11938 158.3
[M+NH4]+ 260.16048 174.4
[M+K]+ 281.08982 162.2
[M+H-H2O]+ 225.12392 150.5
[M+HCOO]- 287.12486 180.6
[M+CH3COO]- 301.14051 199.9
[M+Na-2H]- 263.10133 157.6
[M]+ 242.12611 160.6
[M]- 242.12721 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