CID 130170

Disodium (2s)-2-(4-carboxylatobutanamido)-4-methylpentanoate

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-7(2)6-8(11(16)17)12-9(13)4-3-5-10(14)15/h7-8H,3-6H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey
JYLHYOYRPZDJHM-QMMMGPOBSA-N
Compound name
(2S)-2-(4-carboxybutanoylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 157.6
[M+Na]+ 268.11555 161.8
[M+NH4]+ 263.16015 160.5
[M+K]+ 284.08949 161.2
[M-H]- 244.11905 152.6
[M+Na-2H]- 266.10100 155.4
[M]+ 245.12578 155.9
[M]- 245.12688 155.9
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