CID 152066209

4-{[(1s)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)CCCC(=O)O
InChI
InChI=1S/C10H17NO5/c1-6(2)9(10(15)16)11-7(12)4-3-5-8(13)14/h6,9H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey
UTTCSZIGAGVTJE-VIFPVBQESA-N
Compound name
5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

231.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 153.4
[M+Na]+ 254.09989 156.8
[M-H]- 230.10339 150.3
[M+NH4]+ 249.14449 169.0
[M+K]+ 270.07383 156.9
[M+H-H2O]+ 214.10793 147.8
[M+HCOO]- 276.10887 170.7
[M+CH3COO]- 290.12452 190.5
[M+Na-2H]- 252.08534 151.3
[M]+ 231.11012 153.3
[M]- 231.11122 153.3
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

patents stripe