CID 61278

Allyl formate

Structural Information

Molecular Formula
C4H6O2
SMILES
C=CCOC=O
InChI
InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
InChIKey
ZHHZHHSFKCANOC-UHFFFAOYSA-N
Compound name
prop-2-enyl formate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

54
References

82508
Patents

86.03678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 112.0
[M+Na]+ 109.02600 120.7
[M-H]- 85.029504 112.7
[M+NH4]+ 104.07060 135.9
[M+K]+ 124.99994 120.8
[M+H-H2O]+ 69.034040 108.1
[M+HCOO]- 131.03498 137.4
[M+CH3COO]- 145.05063 163.3
[M+Na-2H]- 107.01145 120.4
[M]+ 86.036231 114.1
[M]- 86.037329 114.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe