CID 14559840

Epidermin?

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(CC#N)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3
InChIKey
GDSYPXWUHMRTHT-UHFFFAOYSA-N
Compound name
3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1897
Patents

261.12125 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 155.3
[M+Na]+ 284.11047 162.7
[M-H]- 260.11397 154.5
[M+NH4]+ 279.15507 167.3
[M+K]+ 300.08441 162.2
[M+H-H2O]+ 244.11851 144.5
[M+HCOO]- 306.11945 165.4
[M+CH3COO]- 320.13510 199.8
[M+Na-2H]- 282.09592 157.5
[M]+ 261.12070 149.8
[M]- 261.12180 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe