CID 72207883

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

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CN
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-12(8-14)4-9(5-12)6-13/h9H,4-8,13H2,1-3H3
InChIKey
XLVAGFMRBBLZLW-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

226.16812 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 154.4
[M+Na]+ 249.157338 157.0
[M-H]- 225.160844 157.6
[M+NH4]+ 244.201943 159.9
[M+K]+ 265.131278 161.9
[M+H-H2O]+ 209.165380 139.8
[M+HCOO]- 271.166321 168.7
[M+CH3COO]- 285.181971 202.7
[M+Na-2H]- 247.142786 156.7
[M]+ 226.16757142 169.1
[M]- 226.16866858 169.1
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