CID 10406822

6-deoxy-6-iodo-1,2:3,4-bis-o-(1-methylethylidene)-alpha-d-galactopyranose

Structural Information

Molecular Formula
C12H19IO5
SMILES
CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CI)C
InChI
InChI=1S/C12H19IO5/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
InChIKey
JMIGDGVTFPSEMQ-SOYHJAILSA-N
Compound name
(1S,2R,6R,8S,9R)-8-(iodomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

370.0277 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03498 162.0
[M+Na]+ 393.01692 164.3
[M-H]- 369.02042 163.2
[M+NH4]+ 388.06152 177.1
[M+K]+ 408.99086 173.0
[M+H-H2O]+ 353.02496 157.6
[M+HCOO]- 415.02590 170.5
[M+CH3COO]- 429.04155 204.2
[M+Na-2H]- 391.00237 156.9
[M]+ 370.02715 164.6
[M]- 370.02825 164.6
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