CID 66960655

161152-76-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC2(C1)CO

InChI

InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h8,13H,4-7H2,1-3H3

InChIKey

BTWDGFQQIGGAPU-UHFFFAOYSA-N

Compound name

tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 213.13649 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.143766	153.5
[M+Na]+	236.125708	162.7
[M-H]-	212.129214	156.1
[M+NH4]+	231.170313	170.4
[M+K]+	252.099648	160.2
[M+H-H2O]+	196.133750	149.5
[M+HCOO]-	258.134691	170.0
[M+CH3COO]-	272.150341	186.4
[M+Na-2H]-	234.111156	157.9
[M]+	213.13594142	157.6
[M]-	213.13703858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe