CID 46930466

2-[(tert-butoxy)carbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-6-12(7-13)4-8(5-12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
SZAAHQWPPBNUQR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

241.13141 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 153.7
[M+Na]+ 264.12063 156.4
[M-H]- 240.12413 156.2
[M+NH4]+ 259.16523 158.2
[M+K]+ 280.09457 161.7
[M+H-H2O]+ 224.12867 140.0
[M+HCOO]- 286.12961 166.0
[M+CH3COO]- 300.14526 200.4
[M+Na-2H]- 262.10608 155.6
[M]+ 241.13086 169.7
[M]- 241.13196 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

literature stripe

Patent stripe

patents stripe