CID 84063980

1-(oxetan-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C1CCO1)N
InChI
InChI=1S/C5H11NO/c1-4(6)5-2-3-7-5/h4-5H,2-3,6H2,1H3
InChIKey
POJZOKNLVGZKSK-UHFFFAOYSA-N
Compound name
1-(oxetan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

101.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 119.2
[M+Na]+ 124.073278 123.9
[M-H]- 100.076784 122.9
[M+NH4]+ 119.117883 133.9
[M+K]+ 140.047218 128.4
[M+H-H2O]+ 84.081320 108.9
[M+HCOO]- 146.082261 140.2
[M+CH3COO]- 160.097911 172.6
[M+Na-2H]- 122.058726 125.4
[M]+ 101.08351142 125.4
[M]- 101.08460858 125.4
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