CID 59533268

Refchem:393200

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCC1C[C@@]1(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t7?,11-/m1/s1
InChIKey
QUJJZDFGKLKCJR-PLNQYNMKSA-N
Compound name
(1R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 150.5
[M+Na]+ 252.120628 158.5
[M-H]- 228.124134 154.1
[M+NH4]+ 247.165233 165.2
[M+K]+ 268.094568 157.2
[M+H-H2O]+ 212.128670 146.9
[M+HCOO]- 274.129611 170.0
[M+CH3COO]- 288.145261 192.9
[M+Na-2H]- 250.106076 154.8
[M]+ 229.13086142 155.7
[M]- 229.13195858 155.7
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