CID 18648959

D-valine dane salt

Structural Information

Molecular Formula
C10H17NO4
SMILES
CC(C)[C@H](C(=O)O)N/C(=C/C(=O)OC)/C
InChI
InChI=1S/C10H17NO4/c1-6(2)9(10(13)14)11-7(3)5-8(12)15-4/h5-6,9,11H,1-4H3,(H,13,14)/b7-5+/t9-/m1/s1
InChIKey
GAYMHZMMPVUVHI-VPIOIWJLSA-N
Compound name
(2R)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

215.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 150.6
[M+Na]+ 238.10497 156.0
[M+NH4]+ 233.14957 154.6
[M+K]+ 254.07891 154.8
[M-H]- 214.10847 146.7
[M+Na-2H]- 236.09042 149.7
[M]+ 215.11520 149.5
[M]- 215.11630 149.5
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

No patent data available for this compound.