CID 3277971

Albumin from chicken egg white

Structural Information

Molecular Formula
C16H26O5
SMILES
CC(=CCC1C(O1)(C)C2(C(C(=O)CCC2(C)O)OC)O)C
InChI
InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3
InChIKey
UOXVFQCRPDLSFN-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

298.178 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18528 164.3
[M+Na]+ 321.16722 172.9
[M-H]- 297.17072 170.2
[M+NH4]+ 316.21182 178.7
[M+K]+ 337.14116 173.1
[M+H-H2O]+ 281.17526 162.3
[M+HCOO]- 343.17620 177.8
[M+CH3COO]- 357.19185 202.5
[M+Na-2H]- 319.15267 167.6
[M]+ 298.17745 169.7
[M]- 298.17855 169.7
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