CID 454092

N-undecanoylglycine

Structural Information

Molecular Formula
C13H25NO3
SMILES
CCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C13H25NO3/c1-2-3-4-5-6-7-8-9-10-12(15)14-11-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKey
HEUQYIQQCNOXOG-UHFFFAOYSA-N
Compound name
2-(undecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

660
Patents

243.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 162.6
[M+Na]+ 266.17266 165.7
[M-H]- 242.17616 160.2
[M+NH4]+ 261.21726 178.9
[M+K]+ 282.14660 163.8
[M+H-H2O]+ 226.18070 156.3
[M+HCOO]- 288.18164 182.7
[M+CH3COO]- 302.19729 195.7
[M+Na-2H]- 264.15811 163.1
[M]+ 243.18289 165.3
[M]- 243.18399 165.3
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