CID 112756312

1803591-00-5

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC1(CN(C1CN)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-11(4,5)8(13)6-12/h8H,6-7,12H2,1-5H3

InChIKey

KSBAPSGBYKCXOJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-(aminomethyl)-3,3-dimethylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 214.16812 Da
Monoisotopic Mass: 1.2
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]+	215.17540	155.7
[M+Na]+	237.15734	161.2
[M-H]-	213.16084	157.7
[M+NH4]+	232.20194	168.7
[M+K]+	253.13128	163.8
[M+H-H2O]+	197.16538	145.9
[M+HCOO]-	259.16632	173.2
[M+CH3COO]-	273.18197	194.2
[M+Na-2H]-	235.14279	158.0
[M]+	214.16757	165.0
[M]-	214.16867	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe