CID 53488162

7-[(tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C(=O)O
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-14(5-7-15)8-10(9-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
ASNXCLBPISBIFU-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

269.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.0
[M+Na]+ 292.15194 166.6
[M-H]- 268.15544 165.8
[M+NH4]+ 287.19654 174.0
[M+K]+ 308.12588 169.0
[M+H-H2O]+ 252.15998 153.5
[M+HCOO]- 314.16092 175.6
[M+CH3COO]- 328.17657 196.4
[M+Na-2H]- 290.13739 165.4
[M]+ 269.16217 169.7
[M]- 269.16327 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