CID 11401635

(z)-methyl 2-(tert-butoxycarbonylamino)but-2-enoate

Structural Information

Molecular Formula
C10H17NO4
SMILES
C/C=C(/C(=O)OC)\NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO4/c1-6-7(8(12)14-5)11-9(13)15-10(2,3)4/h6H,1-5H3,(H,11,13)/b7-6-
InChIKey
MYYHIDZJUDGETM-SREVYHEPSA-N
Compound name
methyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 148.9
[M+Na]+ 238.10497 154.6
[M-H]- 214.10847 149.2
[M+NH4]+ 233.14957 167.5
[M+K]+ 254.07891 155.3
[M+H-H2O]+ 198.11301 144.0
[M+HCOO]- 260.11395 169.6
[M+CH3COO]- 274.12960 188.9
[M+Na-2H]- 236.09042 151.4
[M]+ 215.11520 151.8
[M]- 215.11630 151.8
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.