CID 46835725

3-amino-3-methyloxetane

Structural Information

Molecular Formula
C4H9NO
SMILES
CC1(COC1)N
InChI
InChI=1S/C4H9NO/c1-4(5)2-6-3-4/h2-3,5H2,1H3
InChIKey
NQVWMPOQWBDSAI-UHFFFAOYSA-N
Compound name
3-methyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1015
Patents

87.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 113.2
[M+Na]+ 110.05763 119.5
[M-H]- 86.061134 117.5
[M+NH4]+ 105.10223 130.6
[M+K]+ 126.03157 123.9
[M+H-H2O]+ 70.065670 104.6
[M+HCOO]- 132.06661 135.6
[M+CH3COO]- 146.08226 168.4
[M+Na-2H]- 108.04308 122.5
[M]+ 87.067861 120.1
[M]- 87.068959 120.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe