CID 16061039

2-amino-8-oxo-9,10-epoxy-decanoic acid

Structural Information

Molecular Formula
C10H17NO4
SMILES
C1C(O1)C(=O)CCCCC[C@H](C(=O)O)N
InChI
InChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m1/s1
InChIKey
PFDHVDFPTKSEKN-YOXFSPIKSA-N
Compound name
(2R)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

461
Patents

215.11575 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12303 147.7
[M+Na]+ 238.10497 153.9
[M-H]- 214.10847 150.7
[M+NH4]+ 233.14957 158.8
[M+K]+ 254.07891 152.4
[M+H-H2O]+ 198.11301 141.1
[M+HCOO]- 260.11395 166.9
[M+CH3COO]- 274.12960 191.2
[M+Na-2H]- 236.09042 149.7
[M]+ 215.11520 151.4
[M]- 215.11630 151.4
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