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

4584
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

literature stripe

Patent stripe

patents stripe