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

106
Patents

189.10011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 143.0
[M+Na]+ 212.08933 147.8
[M-H]- 188.09283 141.7
[M+NH4]+ 207.13393 161.4
[M+K]+ 228.06327 148.7
[M+H-H2O]+ 172.09737 137.7
[M+HCOO]- 234.09831 163.0
[M+CH3COO]- 248.11396 183.9
[M+Na-2H]- 210.07478 143.6
[M]+ 189.09956 143.9
[M]- 189.10066 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