CID 17937508

Margaroylglycine

Structural Information

Molecular Formula
C19H37NO3
SMILES
CCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23/h2-17H2,1H3,(H,20,21)(H,22,23)
InChIKey
AEKJBHKVBQSNGN-UHFFFAOYSA-N
Compound name
2-(heptadecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

327.27734 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.28462 189.3
[M+Na]+ 350.26656 189.9
[M-H]- 326.27006 185.8
[M+NH4]+ 345.31116 202.3
[M+K]+ 366.24050 186.5
[M+H-H2O]+ 310.27460 181.9
[M+HCOO]- 372.27554 207.4
[M+CH3COO]- 386.29119 213.6
[M+Na-2H]- 348.25201 186.7
[M]+ 327.27679 194.3
[M]- 327.27789 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe