CID 5182019

13-aminotridecanoic acid

Structural Information

Molecular Formula
C13H27NO2
SMILES
C(CCCCCCN)CCCCCC(=O)O
InChI
InChI=1S/C13H27NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h1-12,14H2,(H,15,16)
InChIKey
YHNQOXAUNKFXNZ-UHFFFAOYSA-N
Compound name
13-aminotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

762
Patents

229.20418 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 160.8
[M+Na]+ 252.19340 163.8
[M-H]- 228.19690 157.7
[M+NH4]+ 247.23800 177.5
[M+K]+ 268.16734 161.2
[M+H-H2O]+ 212.20144 154.5
[M+HCOO]- 274.20238 180.8
[M+CH3COO]- 288.21803 193.8
[M+Na-2H]- 250.17885 161.4
[M]+ 229.20363 162.4
[M]- 229.20473 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe