CID 18962468

99419-31-5

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1(COC1)C=O
InChI
InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3
InChIKey
DUQGFIKXKISULR-UHFFFAOYSA-N
Compound name
3-methyloxetane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

711
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 111.9
[M+Na]+ 123.04165 119.0
[M-H]- 99.045154 116.7
[M+NH4]+ 118.08625 129.4
[M+K]+ 139.01559 123.5
[M+H-H2O]+ 83.049690 104.0
[M+HCOO]- 145.05063 134.3
[M+CH3COO]- 159.06628 168.5
[M+Na-2H]- 121.02710 121.9
[M]+ 100.05188 121.7
[M]- 100.05298 121.7
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

patents stripe