CID 13821105

2-[(methoxycarbonyl)amino]-4-methylpentanoic acid

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)CC(C(=O)O)NC(=O)OC
InChI
InChI=1S/C8H15NO4/c1-5(2)4-6(7(10)11)9-8(12)13-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKey
NPRGOLCTGVFFGS-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

189.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 143.0
[M+Na]+ 212.089328 147.8
[M-H]- 188.092834 141.7
[M+NH4]+ 207.133933 161.4
[M+K]+ 228.063268 148.7
[M+H-H2O]+ 172.097370 137.7
[M+HCOO]- 234.098311 163.0
[M+CH3COO]- 248.113961 183.9
[M+Na-2H]- 210.074776 143.6
[M]+ 189.09956142 143.9
[M]- 189.10065858 143.9
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