CID 22446672

4-{[(tert-butoxy)carbonyl]amino}-2-methylidenebutanoic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)(C)OC(=O)NCCC(=C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-7(8(12)13)5-6-11-9(14)15-10(2,3)4/h1,5-6H2,2-4H3,(H,11,14)(H,12,13)
InChIKey
QCMUHVVFSIRDMB-UHFFFAOYSA-N
Compound name
2-methylidene-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 149.9
[M+Na]+ 238.10497 155.7
[M+NH4]+ 233.14957 154.0
[M+K]+ 254.07891 154.1
[M-H]- 214.10847 145.8
[M+Na-2H]- 236.09042 149.6
[M]+ 215.11520 148.9
[M]- 215.11630 148.9
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