CID 25010766

Hexahomomethionine

Structural Information

Molecular Formula
C11H23NO2S
SMILES
CSCCCCCCCCC(C(=O)O)N
InChI
InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKey
XVGBKWQWYRNGDG-UHFFFAOYSA-N
Compound name
2-amino-10-methylsulfanyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

233.14494 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.15222 157.7
[M+Na]+ 256.13416 161.0
[M-H]- 232.13766 155.0
[M+NH4]+ 251.17876 174.6
[M+K]+ 272.10810 158.1
[M+H-H2O]+ 216.14220 151.4
[M+HCOO]- 278.14314 171.7
[M+CH3COO]- 292.15879 192.3
[M+Na-2H]- 254.11961 155.1
[M]+ 233.14439 159.9
[M]- 233.14549 159.9
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.