CID 71306057

5-[(tert-butoxy)carbonyl]-5-azaspiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC2C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-11(6-12)4-7(11)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
YHMUQYORLLKZHP-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

227.11575 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 155.6
[M+Na]+ 250.10497 162.7
[M-H]- 226.10847 159.5
[M+NH4]+ 245.14957 163.3
[M+K]+ 266.07891 164.1
[M+H-H2O]+ 210.11301 146.3
[M+HCOO]- 272.11395 170.8
[M+CH3COO]- 286.12960 192.3
[M+Na-2H]- 248.09042 158.8
[M]+ 227.11520 167.6
[M]- 227.11630 167.6
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