CID 409321

2-amino-tridecanoic acid

Structural Information

Molecular Formula
C13H27NO2
SMILES
CCCCCCCCCCCC(C(=O)O)N
InChI
InChI=1S/C13H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKey
JZXHUPALAOUFMA-UHFFFAOYSA-N
Compound name
2-aminotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

229.20418 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 161.7
[M+Na]+ 252.19340 164.5
[M-H]- 228.19690 158.8
[M+NH4]+ 247.23800 178.4
[M+K]+ 268.16734 162.4
[M+H-H2O]+ 212.20144 155.6
[M+HCOO]- 274.20238 180.7
[M+CH3COO]- 288.21803 194.6
[M+Na-2H]- 250.17885 161.0
[M]+ 229.20363 162.7
[M]- 229.20473 162.7
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