CID 52921727

Mycosanoic acid (c25)

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)C(=O)O
InChI
InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(2)22-24(3)25(26)27/h23-24H,4-22H2,1-3H3,(H,26,27)/t23-,24-/m0/s1
InChIKey
ZLKBEACXHMFBSH-ZEQRLZLVSA-N
Compound name
(2S,4S)-2,4-dimethyltricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.38107 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.38835 211.9
[M+Na]+ 405.37029 210.4
[M-H]- 381.37379 207.3
[M+NH4]+ 400.41489 223.0
[M+K]+ 421.34423 206.0
[M+H-H2O]+ 365.37833 204.2
[M+HCOO]- 427.37927 225.5
[M+CH3COO]- 441.39492 226.7
[M+Na-2H]- 403.35574 204.5
[M]+ 382.38052 218.6
[M]- 382.38162 218.6
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.