CID 46839993

N-methyloxetan-3-amine

Structural Information

Molecular Formula
C4H9NO
SMILES
CNC1COC1
InChI
InChI=1S/C4H9NO/c1-5-4-2-6-3-4/h4-5H,2-3H2,1H3
InChIKey
JUIXJPRSYHSLHK-UHFFFAOYSA-N
Compound name
N-methyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

812
Patents

87.06841 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 111.2
[M+Na]+ 110.05763 116.6
[M-H]- 86.061134 115.5
[M+NH4]+ 105.10223 126.8
[M+K]+ 126.03157 121.3
[M+H-H2O]+ 70.065670 101.2
[M+HCOO]- 132.06661 134.2
[M+CH3COO]- 146.08226 169.5
[M+Na-2H]- 108.04308 120.5
[M]+ 87.067861 118.7
[M]- 87.068959 118.7
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