CID 7015695

Ser-leu

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
InChIKey
NFDYGNFETJVMSE-BQBZGAKWSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

7833
Patents

218.12666 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 151.5
[M+Na]+ 241.11588 154.9
[M+NH4]+ 236.16048 154.9
[M+K]+ 257.08982 155.0
[M-H]- 217.11938 147.4
[M+Na-2H]- 239.10133 149.5
[M]+ 218.12611 149.9
[M]- 218.12721 149.9
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