CID 56962185

1374659-11-6

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC12CC(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(13)6-8(7-12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
PLTMDLGZYGFWOV-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

241.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 153.7
[M+Na]+ 264.120628 156.4
[M-H]- 240.124134 156.2
[M+NH4]+ 259.165233 158.2
[M+K]+ 280.094568 161.7
[M+H-H2O]+ 224.128670 140.0
[M+HCOO]- 286.129611 166.0
[M+CH3COO]- 300.145261 200.4
[M+Na-2H]- 262.106076 155.6
[M]+ 241.13086142 169.7
[M]- 241.13195858 169.7
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