CID 7010718

Lysyl threonine

Structural Information

Molecular Formula
C10H21N3O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7+,8+/m1/s1
InChIKey
ZOKVLMBYDSIDKG-CSMHCCOUSA-N
Compound name
(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5436
Patents

247.15321 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16049 160.5
[M+Na]+ 270.14243 161.8
[M-H]- 246.14593 156.2
[M+NH4]+ 265.18703 174.2
[M+K]+ 286.11637 161.8
[M+H-H2O]+ 230.15047 153.7
[M+HCOO]- 292.15141 178.0
[M+CH3COO]- 306.16706 199.0
[M+Na-2H]- 268.12788 156.5
[M]+ 247.15266 155.8
[M]- 247.15376 155.8
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.