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

147
Patents

213.13649 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 152.6
[M+Na]+ 236.12571 162.0
[M-H]- 212.12921 155.3
[M+NH4]+ 231.17031 168.0
[M+K]+ 252.09965 158.6
[M+H-H2O]+ 196.13375 147.7
[M+HCOO]- 258.13469 169.5
[M+CH3COO]- 272.15034 188.1
[M+Na-2H]- 234.11116 155.3
[M]+ 213.13594 156.7
[M]- 213.13704 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