CID 101050678

(2s)-2-[(4-methoxy-4-oxobutanoyl)amino]-4-methylpentanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 157.2
[M+Na]+ 268.11555 162.0
[M+NH4]+ 263.16015 160.5
[M+K]+ 284.08949 161.1
[M-H]- 244.11905 152.8
[M+Na-2H]- 266.10100 155.6
[M]+ 245.12578 155.8
[M]- 245.12688 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.