CID 137698645

Tert-butyl 3-(aminomethyl)oxane-3-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)OC(=O)C1(CCCOC1)CN
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)11(7-12)5-4-6-14-8-11/h4-8,12H2,1-3H3
InChIKey
GULCKCGZWVGDNC-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)oxane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.15215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 150.5
[M+Na]+ 238.141368 154.6
[M-H]- 214.144874 153.4
[M+NH4]+ 233.185973 169.1
[M+K]+ 254.115308 155.6
[M+H-H2O]+ 198.149410 145.6
[M+HCOO]- 260.150351 167.9
[M+CH3COO]- 274.166001 187.3
[M+Na-2H]- 236.126816 155.9
[M]+ 215.15160142 148.4
[M]- 215.15269858 148.4
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