CID 45357453

Tridecanoylglycine

Structural Information

Molecular Formula
C15H29NO3
SMILES
CCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19/h2-13H2,1H3,(H,16,17)(H,18,19)
InChIKey
BTHNNPTZHGZNAO-UHFFFAOYSA-N
Compound name
2-(tridecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

271.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 171.6
[M+Na]+ 294.20397 173.8
[M-H]- 270.20747 168.8
[M+NH4]+ 289.24857 186.8
[M+K]+ 310.17791 171.5
[M+H-H2O]+ 254.21201 164.9
[M+HCOO]- 316.21295 191.0
[M+CH3COO]- 330.22860 201.7
[M+Na-2H]- 292.18942 171.0
[M]+ 271.21420 175.0
[M]- 271.21530 175.0
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