CID 9927318

Vel-0230

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC(C)C[C@@H](COCC(C)C)NC(=O)[C@@H]1[C@H](O1)C(=O)O
InChI
InChI=1S/C14H25NO5/c1-8(2)5-10(7-19-6-9(3)4)15-13(16)11-12(20-11)14(17)18/h8-12H,5-7H2,1-4H3,(H,15,16)(H,17,18)/t10-,11-,12-/m0/s1
InChIKey
HXMVBQALNLCUIE-SRVKXCTJSA-N
Compound name
(2S,3S)-3-[[(2S)-4-methyl-1-(2-methylpropoxy)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

198
Patents

287.17328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 166.6
[M+Na]+ 310.16250 171.6
[M-H]- 286.16600 169.8
[M+NH4]+ 305.20710 175.4
[M+K]+ 326.13644 170.7
[M+H-H2O]+ 270.17054 159.9
[M+HCOO]- 332.17148 183.4
[M+CH3COO]- 346.18713 207.7
[M+Na-2H]- 308.14795 164.7
[M]+ 287.17273 173.2
[M]- 287.17383 173.2
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