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]+ 247.12885 157.7
[M+Na]+ 269.11079 160.1
[M-H]- 245.11429 154.0
[M+NH4]+ 264.15539 172.0
[M+K]+ 285.08473 160.1
[M+H-H2O]+ 229.11883 151.4
[M+HCOO]- 291.11977 175.3
[M+CH3COO]- 305.13542 195.4
[M+Na-2H]- 267.09624 154.7
[M]+ 246.12102 155.6
[M]- 246.12212 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.