CID 165946033

2703780-64-5

Structural Information

Molecular Formula
C13H25NO5
SMILES
CC(C)(C)OC(=O)NC(C)(C)COCCCC(=O)O
InChI
InChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-13(4,5)9-18-8-6-7-10(15)16/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKey
MLKQMOWGOQDDPG-UHFFFAOYSA-N
Compound name
4-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.17328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18056 165.9
[M+Na]+ 298.16250 169.8
[M-H]- 274.16600 164.2
[M+NH4]+ 293.20710 181.3
[M+K]+ 314.13644 170.2
[M+H-H2O]+ 258.17054 160.9
[M+HCOO]- 320.17148 183.5
[M+CH3COO]- 334.18713 199.3
[M+Na-2H]- 296.14795 168.8
[M]+ 275.17273 170.4
[M]- 275.17383 170.4
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

No patent data available for this compound.