CID 65994378

1-[3-(hydroxymethyl)azetidin-1-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C=CC(=O)N1CC(C1)CO
InChI
InChI=1S/C7H11NO2/c1-2-7(10)8-3-6(4-8)5-9/h2,6,9H,1,3-5H2
InChIKey
UTXSEZRQAYRZOV-UHFFFAOYSA-N
Compound name
1-[3-(hydroxymethyl)azetidin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.6
[M+Na]+ 164.06820 136.9
[M+NH4]+ 159.11280 134.4
[M+K]+ 180.04214 134.4
[M-H]- 140.07170 127.9
[M+Na-2H]- 162.05365 132.2
[M]+ 141.07843 129.7
[M]- 141.07953 129.7
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

No patent data available for this compound.