CID 118992270

1824022-98-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC1CCC2(CC1)CC2C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-4-6-14(7-5-9)8-10(14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ZVLAJPFWOQGYPB-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.169996 161.1
[M+Na]+ 292.151938 166.9
[M-H]- 268.155444 165.6
[M+NH4]+ 287.196543 174.2
[M+K]+ 308.125878 165.2
[M+H-H2O]+ 252.159980 156.8
[M+HCOO]- 314.160921 176.9
[M+CH3COO]- 328.176571 198.7
[M+Na-2H]- 290.137386 164.2
[M]+ 269.16217142 161.6
[M]- 269.16326858 161.6
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