CID 22928380

2-{[(tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 150.1
[M+Na]+ 252.12063 156.6
[M-H]- 228.12413 154.6
[M+NH4]+ 247.16523 163.2
[M+K]+ 268.09457 156.1
[M+H-H2O]+ 212.12867 144.7
[M+HCOO]- 274.12961 169.7
[M+CH3COO]- 288.14526 196.3
[M+Na-2H]- 250.10608 151.9
[M]+ 229.13086 155.1
[M]- 229.13196 155.1
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