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

3
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

literature stripe

Patent stripe

patents stripe