CID 24801405

1016233-08-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CO)CO

InChI

InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3

InChIKey

GAXAFYOXCGGDFH-UHFFFAOYSA-N

Compound name

tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 217.13141 Da
Monoisotopic Mass: -0.4
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]+	218.13869	152.9
[M+Na]+	240.12063	157.7
[M-H]-	216.12413	152.3
[M+NH4]+	235.16523	164.4
[M+K]+	256.09457	160.1
[M+H-H2O]+	200.12867	143.6
[M+HCOO]-	262.12961	167.8
[M+CH3COO]-	276.14526	185.1
[M+Na-2H]-	238.10608	156.4
[M]+	217.13086	162.3
[M]-	217.13196	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe