CID 500321

Carbon monoxide; cobaltiocobalt; propyl 2-acetoxybenzoate

Structural Information

Molecular Formula
C12H12O4
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OCC=C
InChI
InChI=1S/C12H12O4/c1-3-8-15-12(14)10-6-4-5-7-11(10)16-9(2)13/h3-7H,1,8H2,2H3
InChIKey
WMLQRTQFMFULOA-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

220.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 146.1
[M+Na]+ 243.06278 153.5
[M-H]- 219.06628 149.8
[M+NH4]+ 238.10738 164.4
[M+K]+ 259.03672 152.2
[M+H-H2O]+ 203.07082 139.9
[M+HCOO]- 265.07176 169.2
[M+CH3COO]- 279.08741 187.4
[M+Na-2H]- 241.04823 149.7
[M]+ 220.07301 149.8
[M]- 220.07411 149.8
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