CID 132353701

2138565-56-5

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC12CCC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-8-13(9(15)16)7-12(13)5-4-6-12/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
RJBRSHOXDYPAMA-UHFFFAOYSA-N
Compound name
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 162.6
[M+Na]+ 278.13628 167.8
[M-H]- 254.13978 167.5
[M+NH4]+ 273.18088 171.8
[M+K]+ 294.11022 169.9
[M+H-H2O]+ 238.14432 155.0
[M+HCOO]- 300.14526 178.9
[M+CH3COO]- 314.16091 198.6
[M+Na-2H]- 276.12173 167.1
[M]+ 255.14651 174.3
[M]- 255.14761 174.3
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.