CID 15816

Undecanedioic acid

Structural Information

Molecular Formula
C11H20O4
SMILES
C(CCCCC(=O)O)CCCCC(=O)O
InChI
InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKey
LWBHHRRTOZQPDM-UHFFFAOYSA-N
Compound name
undecanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

25954
Patents

216.13615 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.143426 152.5
[M+Na]+ 239.125368 156.8
[M-H]- 215.128874 149.1
[M+NH4]+ 234.169973 169.5
[M+K]+ 255.099308 155.1
[M+H-H2O]+ 199.133410 147.2
[M+HCOO]- 261.134351 171.0
[M+CH3COO]- 275.150001 184.8
[M+Na-2H]- 237.110816 153.4
[M]+ 216.13560142 155.0
[M]- 216.13669858 155.0
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