CID 53484518

1253730-25-4

Structural Information

Molecular Formula
C5H11NO
SMILES
C1C(CO1)CCN
InChI
InChI=1S/C5H11NO/c6-2-1-5-3-7-4-5/h5H,1-4,6H2
InChIKey
XBAKBGINYYVVNP-UHFFFAOYSA-N
Compound name
2-(oxetan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 116.8
[M+Na]+ 124.073278 121.8
[M-H]- 100.076784 120.4
[M+NH4]+ 119.117883 131.7
[M+K]+ 140.047218 125.9
[M+H-H2O]+ 84.081320 106.6
[M+HCOO]- 146.082261 138.9
[M+CH3COO]- 160.097911 171.8
[M+Na-2H]- 122.058726 124.5
[M]+ 101.08351142 123.7
[M]- 101.08460858 123.7
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