CID 42614573

1,7-diaza-spiro[4.4]nonane-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC12CCNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-4-5-12(14)6-7-13-9-12/h13H,4-9H2,1-3H3
InChIKey
LZBANXJWOBNBLH-UHFFFAOYSA-N
Compound name
tert-butyl 1,7-diazaspiro[4.4]nonane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

226.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 157.5
[M+Na]+ 249.15734 162.4
[M-H]- 225.16084 158.6
[M+NH4]+ 244.20194 178.0
[M+K]+ 265.13128 160.9
[M+H-H2O]+ 209.16538 151.5
[M+HCOO]- 271.16632 172.2
[M+CH3COO]- 285.18197 182.8
[M+Na-2H]- 247.14279 158.5
[M]+ 226.16757 152.8
[M]- 226.16867 152.8
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

patents stripe