CID 137935530

2248365-57-1

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)C[C@@H]2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-4-12(5-7)6-8(12)9(14)15/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7?,8-,12?/m1/s1
InChIKey
VEYAKPONFIPPFW-UWZOBUBJSA-N
Compound name
(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 161.6
[M+Na]+ 264.12063 165.8
[M+NH4]+ 259.16523 165.4
[M+K]+ 280.09457 164.6
[M-H]- 240.12413 165.0
[M+Na-2H]- 262.10608 164.4
[M]+ 241.13086 162.9
[M]- 241.13196 162.9
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

No patent data available for this compound.