CID 16777214

3-methyl-2-(2-methylpropanamido)pentanoic acid

Structural Information

Molecular Formula
C10H19NO3
SMILES
CCC(C)C(C(=O)O)NC(=O)C(C)C
InChI
InChI=1S/C10H19NO3/c1-5-7(4)8(10(13)14)11-9(12)6(2)3/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKey
ATRGKXZTLQYPBV-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-methylpropanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.143766 149.4
[M+Na]+ 224.125708 153.2
[M-H]- 200.129214 147.9
[M+NH4]+ 219.170313 167.3
[M+K]+ 240.099648 153.7
[M+H-H2O]+ 184.133750 144.2
[M+HCOO]- 246.134691 167.6
[M+CH3COO]- 260.150341 189.5
[M+Na-2H]- 222.111156 147.7
[M]+ 201.13594142 149.0
[M]- 201.13703858 149.0
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