CID 155973632

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

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)C1(COC1)CN
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)9(4-10)5-12-6-9/h4-6,10H2,1-3H3
InChIKey
QMGQOBFOCKWQDP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)oxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.12085 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.0
[M+Na]+ 210.11007 147.3
[M-H]- 186.11357 146.5
[M+NH4]+ 205.15467 156.3
[M+K]+ 226.08401 151.8
[M+H-H2O]+ 170.11811 133.7
[M+HCOO]- 232.11905 161.7
[M+CH3COO]- 246.13470 186.1
[M+Na-2H]- 208.09552 148.9
[M]+ 187.12030 152.4
[M]- 187.12140 152.4
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

No patent data available for this compound.