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]+ 188.128126 143.0
[M+Na]+ 210.110068 147.3
[M-H]- 186.113574 146.5
[M+NH4]+ 205.154673 156.3
[M+K]+ 226.084008 151.8
[M+H-H2O]+ 170.118110 133.7
[M+HCOO]- 232.119051 161.7
[M+CH3COO]- 246.134701 186.1
[M+Na-2H]- 208.095516 148.9
[M]+ 187.12030142 152.4
[M]- 187.12139858 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.