CID 126970568

Tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)NC
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-12(8-14)5-9(6-12)13-4/h9,13H,5-8H2,1-4H3
InChIKey
RNBAIEJDOGSDBC-UHFFFAOYSA-N
Compound name
tert-butyl 6-(methylamino)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 152.9
[M+Na]+ 249.157338 155.6
[M-H]- 225.160844 156.6
[M+NH4]+ 244.201943 158.6
[M+K]+ 265.131278 160.7
[M+H-H2O]+ 209.165380 138.4
[M+HCOO]- 271.166321 167.9
[M+CH3COO]- 285.181971 203.2
[M+Na-2H]- 247.142786 156.3
[M]+ 226.16757142 168.6
[M]- 226.16866858 168.6
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