CID 6453952

Suberylglycine

Structural Information

Molecular Formula
C10H17NO5
SMILES
C(CCCC(=O)O)CCC(=O)NCC(=O)O
InChI
InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
HXATVKDSYDWTCX-UHFFFAOYSA-N
Compound name
8-(carboxymethylamino)-8-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

61
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.117946 153.0
[M+Na]+ 254.099888 156.8
[M-H]- 230.103394 149.8
[M+NH4]+ 249.144493 168.8
[M+K]+ 270.073828 155.8
[M+H-H2O]+ 214.107930 147.2
[M+HCOO]- 276.108871 172.3
[M+CH3COO]- 290.124521 188.5
[M+Na-2H]- 252.085336 153.5
[M]+ 231.11012142 154.2
[M]- 231.11121858 154.2
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