CID 500323

Butyl 2-acetoxybenzoate; carbon monoxide; cobaltiocobalt

Structural Information

Molecular Formula
C13H14O4
SMILES
C[CH][CH]COC(=O)C1=CC=CC=C1OC(=O)C
InChI
InChI=1S/C13H14O4/c1-3-4-9-16-13(15)11-7-5-6-8-12(11)17-10(2)14/h3-8H,9H2,1-2H3
InChIKey
UZNQTCMSVLJFHD-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 152.0
[M+Na]+ 257.07842 158.7
[M-H]- 233.08192 155.5
[M+NH4]+ 252.12302 169.8
[M+K]+ 273.05236 157.8
[M+H-H2O]+ 217.08646 145.5
[M+HCOO]- 279.08740 174.6
[M+CH3COO]- 293.10305 191.2
[M+Na-2H]- 255.06387 155.0
[M]+ 234.08865 156.7
[M]- 234.08975 156.7
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

No patent data available for this compound.