CID 155437751

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

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CCN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-13(9-15)6-10(7-13)4-5-14/h10H,4-9,14H2,1-3H3
InChIKey
JDINVPZNJHFXPS-UHFFFAOYSA-N
Compound name
tert-butyl 6-(2-aminoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

240.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.191056 158.8
[M+Na]+ 263.172998 161.0
[M-H]- 239.176504 161.8
[M+NH4]+ 258.217603 163.7
[M+K]+ 279.146938 165.7
[M+H-H2O]+ 223.181040 144.0
[M+HCOO]- 285.181981 172.8
[M+CH3COO]- 299.197631 205.3
[M+Na-2H]- 261.158446 160.6
[M]+ 240.18323142 173.8
[M]- 240.18432858 173.8
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