CID 137935733

2253639-18-6

Structural Information

Molecular Formula
C15H27NO6
SMILES
CC(C)(C)OC(=O)NC(CCCCCC1OCCO1)C(=O)O
InChI
InChI=1S/C15H27NO6/c1-15(2,3)22-14(19)16-11(13(17)18)7-5-4-6-8-12-20-9-10-21-12/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
WGCSQBVJYFNEFH-UHFFFAOYSA-N
Compound name
7-(1,3-dioxolan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.18384 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19112 178.5
[M+Na]+ 340.17306 179.8
[M-H]- 316.17656 180.4
[M+NH4]+ 335.21766 190.5
[M+K]+ 356.14700 181.8
[M+H-H2O]+ 300.18110 172.5
[M+HCOO]- 362.18204 193.6
[M+CH3COO]- 376.19769 204.7
[M+Na-2H]- 338.15851 179.0
[M]+ 317.18329 181.5
[M]- 317.18439 181.5
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

No patent data available for this compound.