CID 22251831

12,12-dimethyltridecanoic acid

Structural Information

Molecular Formula
C15H30O2
SMILES
CC(C)(C)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H30O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h4-13H2,1-3H3,(H,16,17)
InChIKey
DBYDKDYPHZLAMZ-UHFFFAOYSA-N
Compound name
12,12-dimethyltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

242.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 165.8
[M+Na]+ 265.21380 169.5
[M-H]- 241.21730 163.4
[M+NH4]+ 260.25840 183.0
[M+K]+ 281.18774 167.2
[M+H-H2O]+ 225.22184 160.6
[M+HCOO]- 287.22278 183.3
[M+CH3COO]- 301.23843 195.2
[M+Na-2H]- 263.19925 167.0
[M]+ 242.22403 169.6
[M]- 242.22513 169.6
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