CID 46840007

(oxetan-3-yl)methanamine

Structural Information

Molecular Formula
C4H9NO
SMILES
C1C(CO1)CN
InChI
InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKey
KTHZBRAXOLUNBN-UHFFFAOYSA-N
Compound name
oxetan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

936
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 112.1
[M+Na]+ 110.05763 117.5
[M-H]- 86.061134 115.9
[M+NH4]+ 105.10223 127.5
[M+K]+ 126.03157 121.8
[M+H-H2O]+ 70.065670 102.1
[M+HCOO]- 132.06661 134.5
[M+CH3COO]- 146.08226 168.8
[M+Na-2H]- 108.04308 120.4
[M]+ 87.067861 118.6
[M]- 87.068959 118.6
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