CID 12572015

Nonadecanedioic acid

Structural Information

Molecular Formula
C19H36O4
SMILES
C(CCCCCCCCC(=O)O)CCCCCCCCC(=O)O
InChI
InChI=1S/C19H36O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h1-17H2,(H,20,21)(H,22,23)
InChIKey
IFAWYXIHOVRGHQ-UHFFFAOYSA-N
Compound name
nonadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2745
Patents

328.26135 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.26863 188.5
[M+Na]+ 351.25057 189.4
[M-H]- 327.25407 183.5
[M+NH4]+ 346.29517 200.8
[M+K]+ 367.22451 185.6
[M+H-H2O]+ 311.25861 181.6
[M+HCOO]- 373.25955 204.3
[M+CH3COO]- 387.27520 208.7
[M+Na-2H]- 349.23602 185.2
[M]+ 328.26080 193.9
[M]- 328.26190 193.9
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.