CID 101857686

13-dimethylarsinoyl-tridecanoic acid

Structural Information

Molecular Formula
C15H31AsO3
SMILES
C[As](=O)(C)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H31AsO3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h3-14H2,1-2H3,(H,17,18)
InChIKey
ATYBQUGNOSSSRP-UHFFFAOYSA-N
Compound name
13-dimethylarsoryltridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15621 183.3
[M+Na]+ 357.13815 186.2
[M-H]- 333.14165 180.2
[M+NH4]+ 352.18275 198.5
[M+K]+ 373.11209 183.2
[M+H-H2O]+ 317.14619 177.1
[M+HCOO]- 379.14713 200.2
[M+CH3COO]- 393.16278 202.1
[M+Na-2H]- 355.12360 182.9
[M]+ 334.14838 188.4
[M]- 334.14948 188.4
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.