CID 101050678

Schembl29638170

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

13
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 157.5
[M+Na]+ 268.115548 161.1
[M-H]- 244.119054 155.8
[M+NH4]+ 263.160153 173.5
[M+K]+ 284.089488 161.8
[M+H-H2O]+ 228.123590 151.7
[M+HCOO]- 290.124531 176.1
[M+CH3COO]- 304.140181 195.2
[M+Na-2H]- 266.100996 155.6
[M]+ 245.12578142 159.7
[M]- 245.12687858 159.7
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.