CID 90424691

Schembl16057398

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C1(CC1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-7(11(5-6-11)8(13)14)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
NMOYTCHDVORVHV-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 150.6
[M+Na]+ 252.12063 157.5
[M-H]- 228.12413 153.8
[M+NH4]+ 247.16523 164.9
[M+K]+ 268.09457 156.7
[M+H-H2O]+ 212.12867 146.8
[M+HCOO]- 274.12961 169.2
[M+CH3COO]- 288.14526 192.6
[M+Na-2H]- 250.10608 154.3
[M]+ 229.13086 154.8
[M]- 229.13196 154.8
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