CID 18412246

150543-37-6

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1CN(CC12CC2C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO4/c17-13(18)12-8-15(12)6-7-16(10-15)14(19)20-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChIKey
ATCSVGGHJWQTPC-UHFFFAOYSA-N
Compound name
5-phenylmethoxycarbonyl-5-azaspiro[2.4]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

275.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 164.0
[M+Na]+ 298.10497 171.8
[M-H]- 274.10847 170.6
[M+NH4]+ 293.14957 177.0
[M+K]+ 314.07891 168.5
[M+H-H2O]+ 258.11301 157.8
[M+HCOO]- 320.11395 182.3
[M+CH3COO]- 334.12960 195.0
[M+Na-2H]- 296.09042 165.7
[M]+ 275.11520 165.8
[M]- 275.11630 165.8
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