CID 91746264

Beta-d-mannopyranose, 1,6-anhydro-2,3-o-(1-methylethylidene)-

Structural Information

Molecular Formula
C9H14O5
SMILES
CC1(O[C@H]2[C@@H]3OCC(O3)[C@H](C2O1)O)C
InChI
InChI=1S/C9H14O5/c1-9(2)13-6-5(10)4-3-11-8(12-4)7(6)14-9/h4-8,10H,3H2,1-2H3/t4?,5-,6?,7-,8-/m1/s1
InChIKey
VEESJHGZLRXGHP-DTSGFGTRSA-N
Compound name
(1R,2R,7R)-4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 138.5
[M+Na]+ 225.073338 147.1
[M-H]- 201.076844 143.6
[M+NH4]+ 220.117943 160.0
[M+K]+ 241.047278 149.6
[M+H-H2O]+ 185.081380 137.3
[M+HCOO]- 247.082321 152.1
[M+CH3COO]- 261.097971 152.2
[M+Na-2H]- 223.058786 146.0
[M]+ 202.08357142 141.7
[M]- 202.08466858 141.7
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

No patent data available for this compound.