CID 22309337

3-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1CC1
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(6-9(13)14)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
VGEUFFPHZNVSKU-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 150.4
[M+Na]+ 252.12063 156.7
[M-H]- 228.12413 153.4
[M+NH4]+ 247.16523 162.9
[M+K]+ 268.09457 154.8
[M+H-H2O]+ 212.12867 145.0
[M+HCOO]- 274.12961 169.5
[M+CH3COO]- 288.14526 193.0
[M+Na-2H]- 250.10608 152.8
[M]+ 229.13086 154.1
[M]- 229.13196 154.1
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