CID 124556094

2165918-09-0

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@]1(C2)CO
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-5-4-8-6-11(8,12)7-13/h8,13H,4-7H2,1-3H3/t8-,11-/m1/s1
InChIKey
NOSRZTLSBWIBHC-LDYMZIIASA-N
Compound name
tert-butyl (1S,5R)-1-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 153.5
[M+Na]+ 236.12571 162.7
[M-H]- 212.12921 156.1
[M+NH4]+ 231.17031 170.4
[M+K]+ 252.09965 160.2
[M+H-H2O]+ 196.13375 149.5
[M+HCOO]- 258.13469 170.0
[M+CH3COO]- 272.15034 186.4
[M+Na-2H]- 234.11116 157.9
[M]+ 213.13594 157.6
[M]- 213.13704 157.6
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.