CID 16228793

1212381-16-2

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6-/m1/s1
InChIKey
NOZMNADEEKQWGO-PHDIDXHHSA-N
Compound name
(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

201.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 145.2
[M+Na]+ 224.08933 153.8
[M+NH4]+ 219.13393 151.2
[M+K]+ 240.06327 153.3
[M-H]- 200.09283 150.4
[M+Na-2H]- 222.07478 149.5
[M]+ 201.09956 148.6
[M]- 201.10066 148.6
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

patents stripe