CID 14497053

L-furosine

Structural Information

Molecular Formula
C12H18N2O4
SMILES
C1=COC(=C1)C(=O)CNCCCCC(C(=O)O)N
InChI
InChI=1S/C12H18N2O4/c13-9(12(16)17)4-1-2-6-14-8-10(15)11-5-3-7-18-11/h3,5,7,9,14H,1-2,4,6,8,13H2,(H,16,17)
InChIKey
YQHPCDPFXQXCMV-UHFFFAOYSA-N
Compound name
2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.12666 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 160.8
[M+Na]+ 277.11588 166.0
[M+NH4]+ 272.16048 165.1
[M+K]+ 293.08982 165.5
[M-H]- 253.11938 160.8
[M+Na-2H]- 275.10133 161.3
[M]+ 254.12611 160.7
[M]- 254.12721 160.7
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