CID 19984

1,2:3,4-di-o-isopropylidene-d-galactopyranose

Structural Information

Molecular Formula
C12H20O6
SMILES
CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
InChI
InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3
InChIKey
POORJMIIHXHXAV-UHFFFAOYSA-N
Compound name
(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

260.12598 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.133256 153.8
[M+Na]+ 283.115198 162.6
[M-H]- 259.118704 160.8
[M+NH4]+ 278.159803 173.1
[M+K]+ 299.089138 166.0
[M+H-H2O]+ 243.123240 153.3
[M+HCOO]- 305.124181 165.6
[M+CH3COO]- 319.139831 194.0
[M+Na-2H]- 281.100646 160.5
[M]+ 260.12543142 159.1
[M]- 260.12652858 159.1
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