CID 155821613

2445800-60-0

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CC2CCC2(C1)CCN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10-4-5-13(10,9-15)6-7-14/h10H,4-9,14H2,1-3H3
InChIKey
HTGYNVXVMKQZMJ-UHFFFAOYSA-N
Compound name
tert-butyl 1-(2-aminoethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 162.0
[M+Na]+ 263.17300 165.8
[M-H]- 239.17650 163.9
[M+NH4]+ 258.21760 176.1
[M+K]+ 279.14694 167.3
[M+H-H2O]+ 223.18104 152.1
[M+HCOO]- 285.18198 178.0
[M+CH3COO]- 299.19763 196.7
[M+Na-2H]- 261.15845 164.1
[M]+ 240.18323 169.7
[M]- 240.18433 169.7
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

No patent data available for this compound.