CID 3064644

Brn 5829213

Structural Information

Molecular Formula
C17H30N2O6
SMILES
CCC(CCCCCC(=O)NCC(=O)O)CC(=O)N(CC)CC(=O)O
InChI
InChI=1S/C17H30N2O6/c1-3-13(10-15(21)19(4-2)12-17(24)25)8-6-5-7-9-14(20)18-11-16(22)23/h13H,3-12H2,1-2H3,(H,18,20)(H,22,23)(H,24,25)
InChIKey
SYGHZYCVLDUNMY-UHFFFAOYSA-N
Compound name
2-[[9-[carboxymethyl(ethyl)amino]-7-ethyl-9-oxononanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21768 189.3
[M+Na]+ 381.19962 189.3
[M-H]- 357.20312 186.4
[M+NH4]+ 376.24422 205.7
[M+K]+ 397.17356 189.5
[M+H-H2O]+ 341.20766 181.8
[M+HCOO]- 403.20860 198.8
[M+CH3COO]- 417.22425 220.4
[M+Na-2H]- 379.18507 183.7
[M]+ 358.20985 192.9
[M]- 358.21095 192.9
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.