CID 82394359

Tert-butyl 7-amino-5-azabicyclo[4.1.0]heptane-5-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC2C1C2N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-4-5-7-8(12)9(7)13/h7-9H,4-6,12H2,1-3H3
InChIKey
VACFVWQUAZOQDH-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 153.2
[M+Na]+ 235.14170 161.4
[M-H]- 211.14520 156.5
[M+NH4]+ 230.18630 167.0
[M+K]+ 251.11564 158.4
[M+H-H2O]+ 195.14974 147.3
[M+HCOO]- 257.15068 170.0
[M+CH3COO]- 271.16633 193.0
[M+Na-2H]- 233.12715 156.8
[M]+ 212.15193 154.0
[M]- 212.15303 154.0
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.