CID 64146033

2-{[(tert-butoxy)carbonyl]amino}-4-ethoxybutanoic acid

Structural Information

Molecular Formula
C11H21NO5
SMILES
CCOCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO5/c1-5-16-7-6-8(9(13)14)12-10(15)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
SFKBSHLRLKFMHB-UHFFFAOYSA-N
Compound name
4-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 158.0
[M+Na]+ 270.13119 162.1
[M-H]- 246.13469 156.4
[M+NH4]+ 265.17579 174.3
[M+K]+ 286.10513 163.0
[M+H-H2O]+ 230.13923 152.7
[M+HCOO]- 292.14017 176.8
[M+CH3COO]- 306.15582 193.7
[M+Na-2H]- 268.11664 159.5
[M]+ 247.14142 161.6
[M]- 247.14252 161.6
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.