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]+ 256.154336 162.6
[M+Na]+ 278.136278 167.8
[M-H]- 254.139784 167.5
[M+NH4]+ 273.180883 171.8
[M+K]+ 294.110218 169.9
[M+H-H2O]+ 238.144320 155.0
[M+HCOO]- 300.145261 178.9
[M+CH3COO]- 314.160911 198.6
[M+Na-2H]- 276.121726 167.1
[M]+ 255.14651142 174.3
[M]- 255.14760858 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.