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]+ 227.175396 157.5
[M+Na]+ 249.157338 162.4
[M-H]- 225.160844 158.6
[M+NH4]+ 244.201943 178.0
[M+K]+ 265.131278 160.9
[M+H-H2O]+ 209.165380 151.5
[M+HCOO]- 271.166321 172.2
[M+CH3COO]- 285.181971 182.8
[M+Na-2H]- 247.142786 158.5
[M]+ 226.16757142 152.8
[M]- 226.16866858 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