CID 155977858

6-[(tert-butoxy)carbonyl]-1-chloro-6-azaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C13H20ClNO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2(C(=O)O)Cl
InChI
InChI=1S/C13H20ClNO4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8-13(12,14)9(16)17/h4-8H2,1-3H3,(H,16,17)
InChIKey
ZUVOPUKXTHNWRL-UHFFFAOYSA-N
Compound name
2-chloro-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1081 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11538 164.8
[M+Na]+ 312.09732 172.9
[M-H]- 288.10082 168.3
[M+NH4]+ 307.14192 178.8
[M+K]+ 328.07126 170.7
[M+H-H2O]+ 272.10536 161.8
[M+HCOO]- 334.10630 174.0
[M+CH3COO]- 348.12195 196.8
[M+Na-2H]- 310.08277 168.6
[M]+ 289.10755 168.3
[M]- 289.10865 168.3
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

No patent data available for this compound.