CID 7014903

16869-42-4

Structural Information

Molecular Formula
C9H16N2O5
SMILES
CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey
FUZOZPRKGAXGOB-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxypropyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

166
Patents

232.10593 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.113206 153.2
[M+Na]+ 255.095148 156.0
[M-H]- 231.098654 149.7
[M+NH4]+ 250.139753 168.0
[M+K]+ 271.069088 156.3
[M+H-H2O]+ 215.103190 147.1
[M+HCOO]- 277.104131 171.1
[M+CH3COO]- 291.119781 192.4
[M+Na-2H]- 253.080596 150.7
[M]+ 232.10538142 150.7
[M]- 232.10647858 150.7
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