CID 11622603

850808-43-4

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)C2CO
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3
InChIKey
JVIDPFGQYMFQDZ-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

213.13649 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.143766 152.6
[M+Na]+ 236.125708 162.0
[M-H]- 212.129214 155.3
[M+NH4]+ 231.170313 168.0
[M+K]+ 252.099648 158.6
[M+H-H2O]+ 196.133750 147.7
[M+HCOO]- 258.134691 169.5
[M+CH3COO]- 272.150341 188.1
[M+Na-2H]- 234.111156 155.3
[M]+ 213.13594142 156.7
[M]- 213.13703858 156.7
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

patents stripe