CID 39871602

1087798-38-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-9-6-13(7-9)4-8(5-13)10(15)16/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
QFGQEEVKWSGRQJ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 173.0
[M+Na]+ 278.13628 170.5
[M+NH4]+ 273.18088 171.7
[M+K]+ 294.11022 169.6
[M-H]- 254.13978 166.9
[M+Na-2H]- 276.12173 169.7
[M]+ 255.14651 168.4
[M]- 255.14761 168.4
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

patents stripe