CID 39871141

(6s)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKey
VEIYKHIPSJIVRK-QMMMGPOBSA-N
Compound name
(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

697
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 157.6
[M+Na]+ 264.12063 165.8
[M-H]- 240.12413 161.4
[M+NH4]+ 259.16523 172.6
[M+K]+ 280.09457 163.8
[M+H-H2O]+ 224.12867 153.5
[M+HCOO]- 286.12961 173.6
[M+CH3COO]- 300.14526 190.2
[M+Na-2H]- 262.10608 159.8
[M]+ 241.13086 160.4
[M]- 241.13196 160.4
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