CID 118136

Einecs 251-842-2

Structural Information

Molecular Formula
C13H28NO2
SMILES
CCCCCCCCC(C(=O)O)[N+](C)(C)C
InChI
InChI=1S/C13H27NO2/c1-5-6-7-8-9-10-11-12(13(15)16)14(2,3)4/h12H,5-11H2,1-4H3/p+1
InChIKey
AATOGXGPMOMOQY-UHFFFAOYSA-O
Compound name
1-carboxynonyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

230.212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21928 156.4
[M+Na]+ 253.20122 165.7
[M+NH4]+ 248.24582 163.7
[M+K]+ 269.17516 161.6
[M-H]- 229.20472 156.6
[M+Na-2H]- 251.18667 158.9
[M]+ 230.21145 157.9
[M]- 230.21255 157.9
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

patents stripe