CID 99723

2-methyltetradecanoic acid

Structural Information

Molecular Formula
C15H30O2
SMILES
CCCCCCCCCCCCC(C)C(=O)O
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKey
BWCZFWIRIAYLHO-UHFFFAOYSA-N
Compound name
2-methyltetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

915
Patents

242.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.23186 164.1
[M+Na]+ 265.21380 171.8
[M+NH4]+ 260.25840 170.0
[M+K]+ 281.18774 165.5
[M-H]- 241.21730 162.2
[M+Na-2H]- 263.19925 164.6
[M]+ 242.22403 164.3
[M]- 242.22513 164.3
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