CID 101564

1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt

Structural Information

Molecular Formula
C15H32NO2
SMILES
CCCCCCCCCCC(C(=O)O)[N+](C)(C)C
InChI
InChI=1S/C15H31NO2/c1-5-6-7-8-9-10-11-12-13-14(15(17)18)16(2,3)4/h14H,5-13H2,1-4H3/p+1
InChIKey
ZVZRHYNDLMSKIV-UHFFFAOYSA-O
Compound name
1-carboxyundecyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2045
Patents

258.24332 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.25060 166.8
[M+Na]+ 281.23254 169.8
[M-H]- 257.23604 166.1
[M+NH4]+ 276.27714 183.6
[M+K]+ 297.20648 163.1
[M+H-H2O]+ 241.24058 164.0
[M+HCOO]- 303.24152 185.5
[M+CH3COO]- 317.25717 197.2
[M+Na-2H]- 279.21799 170.1
[M]+ 258.24277 169.3
[M]- 258.24387 169.3
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