CID 6134

Lactose

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
GUBGYTABKSRVRQ-DCSYEGIMSA-N
Compound name
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

63566
References

594657
Patents

342.1162 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 173.6
[M+Na]+ 365.10542 178.0
[M+NH4]+ 360.15002 174.5
[M+K]+ 381.07936 180.8
[M-H]- 341.10892 171.9
[M+Na-2H]- 363.09087 168.0
[M]+ 342.11565 172.8
[M]- 342.11675 172.8
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