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 129.5
[M+Na]+ 164.06820 135.4
[M-H]- 140.07170 130.3
[M+NH4]+ 159.11280 142.7
[M+K]+ 180.04214 137.1
[M+H-H2O]+ 124.07624 118.9
[M+HCOO]- 186.07718 148.3
[M+CH3COO]- 200.09283 175.2
[M+Na-2H]- 162.05365 133.2
[M]+ 141.07843 136.6
[M]- 141.07953 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.