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

10
Patents

215.15215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 150.5
[M+Na]+ 238.14137 154.6
[M-H]- 214.14487 153.4
[M+NH4]+ 233.18597 169.1
[M+K]+ 254.11531 155.6
[M+H-H2O]+ 198.14941 145.6
[M+HCOO]- 260.15035 167.9
[M+CH3COO]- 274.16600 187.3
[M+Na-2H]- 236.12682 155.9
[M]+ 215.15160 148.4
[M]- 215.15270 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