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

36
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 142.2
[M+Na]+ 224.08933 150.4
[M-H]- 200.09283 145.8
[M+NH4]+ 219.13393 156.1
[M+K]+ 240.06327 148.4
[M+H-H2O]+ 184.09737 137.2
[M+HCOO]- 246.09831 162.7
[M+CH3COO]- 260.11396 187.5
[M+Na-2H]- 222.07478 146.0
[M]+ 201.09956 146.2
[M]- 201.10066 146.2
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