CID 155977833

(2s,3s)-2-(4-carboxybutanamido)-3-methylpentanoic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C11H19NO5/c1-3-7(2)10(11(16)17)12-8(13)5-4-6-9(14)15/h7,10H,3-6H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,10-/m0/s1
InChIKey
ZMVWEBNXBDEXAY-XVKPBYJWSA-N
Compound name
(2S,3S)-2-(4-carboxybutanoylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.12633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 158.0
[M+Na]+ 268.11555 161.0
[M-H]- 244.11905 154.8
[M+NH4]+ 263.16015 173.0
[M+K]+ 284.08949 160.9
[M+H-H2O]+ 228.12359 152.3
[M+HCOO]- 290.12453 174.9
[M+CH3COO]- 304.14018 193.5
[M+Na-2H]- 266.10100 155.4
[M]+ 245.12578 158.3
[M]- 245.12688 158.3
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.