CID 135392170

2171731-99-8

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC2(C1)CCC2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10(11(16)17)9-7-14(8-9)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
FICMJTKJQCTTIZ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 178.2
[M+Na]+ 292.15194 174.9
[M+NH4]+ 287.19654 176.6
[M+K]+ 308.12588 174.3
[M-H]- 268.15544 171.8
[M+Na-2H]- 290.13739 174.5
[M]+ 269.16217 173.4
[M]- 269.16327 173.4
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.