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]+ 142.086256 129.5
[M+Na]+ 164.068198 135.4
[M-H]- 140.071704 130.3
[M+NH4]+ 159.112803 142.7
[M+K]+ 180.042138 137.1
[M+H-H2O]+ 124.076240 118.9
[M+HCOO]- 186.077181 148.3
[M+CH3COO]- 200.092831 175.2
[M+Na-2H]- 162.053646 133.2
[M]+ 141.07843142 136.6
[M]- 141.07952858 136.6
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.