CID 252477

2-aminotetradecanoic acid

Structural Information

Molecular Formula
C14H29NO2
SMILES
CCCCCCCCCCCCC(C(=O)O)N
InChI
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12,15H2,1H3,(H,16,17)
InChIKey
BVXKPGXJOLWHFI-UHFFFAOYSA-N
Compound name
2-aminotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

283
Patents

243.21983 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 166.2
[M+Na]+ 266.20905 168.6
[M-H]- 242.21255 163.1
[M+NH4]+ 261.25365 182.4
[M+K]+ 282.18299 166.2
[M+H-H2O]+ 226.21709 159.9
[M+HCOO]- 288.21803 184.9
[M+CH3COO]- 302.23368 197.6
[M+Na-2H]- 264.19450 165.0
[M]+ 243.21928 167.6
[M]- 243.22038 167.6
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