CID 71743736

1-(oxetan-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C1COC1)N
InChI
InChI=1S/C5H11NO/c1-4(6)5-2-7-3-5/h4-5H,2-3,6H2,1H3
InChIKey
YXKNHHVCEJACHK-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.2
[M+Na]+ 124.07328 123.9
[M-H]- 100.07678 122.9
[M+NH4]+ 119.11788 133.9
[M+K]+ 140.04722 128.4
[M+H-H2O]+ 84.081320 108.9
[M+HCOO]- 146.08226 140.2
[M+CH3COO]- 160.09791 172.6
[M+Na-2H]- 122.05873 125.4
[M]+ 101.08351 125.4
[M]- 101.08461 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