CID 24752885

L-monomenthyl glutarate

Structural Information

Molecular Formula
C15H26O4
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCCC(=O)O)C(C)C
InChI
InChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKey
CTMTYSVTTGVYAW-FRRDWIJNSA-N
Compound name
5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2544
Patents

270.1831 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19038 165.4
[M+Na]+ 293.17232 172.8
[M+NH4]+ 288.21692 170.9
[M+K]+ 309.14626 169.0
[M-H]- 269.17582 164.4
[M+Na-2H]- 291.15777 165.8
[M]+ 270.18255 165.7
[M]- 270.18365 165.7
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