CID 16214793

(2r)-2-amino-7-{[(1r)-1-carboxyethyl]amino}-7-oxoheptanoic acid

Structural Information

Molecular Formula
C10H18N2O5
SMILES
C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N
InChI
InChI=1S/C10H18N2O5/c1-6(9(14)15)12-8(13)5-3-2-4-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m1/s1
InChIKey
GMHVWLJCMCGBKZ-RNFRBKRXSA-N
Compound name
(2R)-2-amino-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12157 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.128846 157.7
[M+Na]+ 269.110788 160.1
[M-H]- 245.114294 154.0
[M+NH4]+ 264.155393 172.0
[M+K]+ 285.084728 160.1
[M+H-H2O]+ 229.118830 151.4
[M+HCOO]- 291.119771 175.3
[M+CH3COO]- 305.135421 195.4
[M+Na-2H]- 267.096236 154.7
[M]+ 246.12102142 155.6
[M]- 246.12211858 155.6
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

No patent data available for this compound.