CID 57415833

Tert-butyl (1r,5s,6r)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CN
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,4-6,12H2,1-3H3/t7?,8-,9+
InChIKey
BZUMXXCFQUZQAV-CBLAIPOGSA-N
Compound name
tert-butyl (1R,5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.15248 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 152.4
[M+Na]+ 235.14170 161.4
[M-H]- 211.14520 155.9
[M+NH4]+ 230.18630 168.0
[M+K]+ 251.11564 158.0
[M+H-H2O]+ 195.14974 147.1
[M+HCOO]- 257.15068 171.0
[M+CH3COO]- 271.16633 192.6
[M+Na-2H]- 233.12715 154.9
[M]+ 212.15193 155.2
[M]- 212.15303 155.2
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