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

9
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 144.6
[M+Na]+ 224.08933 150.1
[M-H]- 200.09283 143.6
[M+NH4]+ 219.13393 162.8
[M+K]+ 240.06327 150.2
[M+H-H2O]+ 184.09737 140.1
[M+HCOO]- 246.09831 164.1
[M+CH3COO]- 260.11396 184.7
[M+Na-2H]- 222.07478 147.1
[M]+ 201.09956 145.4
[M]- 201.10066 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