CID 72207793

Tert-butyl 6-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC2C1)N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-5-4-11(12)6-8(11)7-13/h8H,4-7,12H2,1-3H3
InChIKey
PKPGACTWHRGJHO-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 154.1
[M+Na]+ 235.14170 162.1
[M-H]- 211.14520 157.3
[M+NH4]+ 230.18630 169.5
[M+K]+ 251.11564 160.2
[M+H-H2O]+ 195.14974 149.1
[M+HCOO]- 257.15068 170.5
[M+CH3COO]- 271.16633 191.4
[M+Na-2H]- 233.12715 159.4
[M]+ 212.15193 154.9
[M]- 212.15303 154.9
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