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

3074
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

literature stripe

Patent stripe

patents stripe