CID 2802985

13,13-dimethyltetradecanoic acid

Structural Information

Molecular Formula
C16H32O2
SMILES
CC(C)(C)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H32O2/c1-16(2,3)14-12-10-8-6-4-5-7-9-11-13-15(17)18/h4-14H2,1-3H3,(H,17,18)
InChIKey
WPAIKZNPOIBQQC-UHFFFAOYSA-N
Compound name
13,13-dimethyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

256.24023 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.247506 170.3
[M+Na]+ 279.229448 173.6
[M-H]- 255.232954 167.8
[M+NH4]+ 274.274053 187.0
[M+K]+ 295.203388 171.1
[M+H-H2O]+ 239.237490 165.0
[M+HCOO]- 301.238431 187.5
[M+CH3COO]- 315.254081 198.2
[M+Na-2H]- 277.214896 171.1
[M]+ 256.23968142 174.6
[M]- 256.24077858 174.6
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