CID 13655621

Glu-asn

Structural Information

Molecular Formula
C9H15N3O6
SMILES
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)N
InChI
InChI=1S/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1
InChIKey
TUTIHHSZKFBMHM-WHFBIAKZSA-N
Compound name
(4S)-4-amino-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3724
Patents

261.0961 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10338 157.5
[M+Na]+ 284.08532 159.3
[M-H]- 260.08882 153.5
[M+NH4]+ 279.12992 170.1
[M+K]+ 300.05926 160.2
[M+H-H2O]+ 244.09336 150.6
[M+HCOO]- 306.09430 175.2
[M+CH3COO]- 320.10995 200.2
[M+Na-2H]- 282.07077 153.2
[M]+ 261.09555 153.2
[M]- 261.09665 153.2
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

patents stripe