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

54
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 116.8
[M+Na]+ 124.07328 121.8
[M-H]- 100.07678 120.4
[M+NH4]+ 119.11788 131.7
[M+K]+ 140.04722 125.9
[M+H-H2O]+ 84.081320 106.6
[M+HCOO]- 146.08226 138.9
[M+CH3COO]- 160.09791 171.8
[M+Na-2H]- 122.05873 124.5
[M]+ 101.08351 123.7
[M]- 101.08461 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