CID 59444330

1108172-95-7

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CN
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(7)9(13)5-12/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey
JHUZWJPECLTTFD-XHNCKOQMSA-N
Compound name
tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 149.4
[M+Na]+ 235.14170 158.4
[M+NH4]+ 230.18630 156.9
[M+K]+ 251.11564 157.8
[M-H]- 211.14520 155.7
[M+Na-2H]- 233.12715 153.1
[M]+ 212.15193 153.2
[M]- 212.15303 153.2
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