CID 10932500

Dtxsid70448798

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)NC(=C)C(=O)OC
InChI
InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey
MGBHVVGQPZDMHA-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

201.10011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 144.0
[M+Na]+ 224.089328 150.0
[M-H]- 200.092834 144.4
[M+NH4]+ 219.133933 163.0
[M+K]+ 240.063268 150.9
[M+H-H2O]+ 184.097370 139.3
[M+HCOO]- 246.098311 165.0
[M+CH3COO]- 260.113961 186.5
[M+Na-2H]- 222.074776 147.0
[M]+ 201.09956142 146.6
[M]- 201.10065858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe