CID 10330445

152468-91-2

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)N[C@H](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)/t6-/m1/s1
InChIKey
BYHZVVBUNVWRGH-ZCFIWIBFSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

201.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 144.6
[M+Na]+ 224.089328 150.1
[M-H]- 200.092834 143.6
[M+NH4]+ 219.133933 162.8
[M+K]+ 240.063268 150.2
[M+H-H2O]+ 184.097370 140.1
[M+HCOO]- 246.098311 164.1
[M+CH3COO]- 260.113961 184.7
[M+Na-2H]- 222.074776 147.1
[M]+ 201.09956142 145.4
[M]- 201.10065858 145.4
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