CID 10352786

171077-04-6

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)NC(C=C)C(=O)O
InChI
InChI=1S/C9H15NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h5-6H,1H2,2-4H3,(H,10,13)(H,11,12)
InChIKey
BYHZVVBUNVWRGH-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 145.6
[M+Na]+ 224.08933 151.6
[M+NH4]+ 219.13393 149.8
[M+K]+ 240.06327 150.3
[M-H]- 200.09283 141.6
[M+Na-2H]- 222.07478 145.6
[M]+ 201.09956 144.7
[M]- 201.10066 144.7
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