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

87
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 142.8
[M+Na]+ 212.08933 149.0
[M+NH4]+ 207.13393 147.6
[M+K]+ 228.06327 147.5
[M-H]- 188.09283 139.5
[M+Na-2H]- 210.07478 142.9
[M]+ 189.09956 142.1
[M]- 189.10066 142.1
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