CID 43194

60075-65-2

Structural Information

Molecular Formula
C12H15IO3
SMILES
CC(C)COC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C12H15IO3/c1-9(2)7-15-12(14)16-8-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3
InChIKey
PTQZRKUQHGBWQJ-UHFFFAOYSA-N
Compound name
(4-iodophenyl)methyl 2-methylpropyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.0066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01388 163.0
[M+Na]+ 356.99582 162.5
[M-H]- 332.99932 159.3
[M+NH4]+ 352.04042 176.2
[M+K]+ 372.96976 167.3
[M+H-H2O]+ 317.00386 152.9
[M+HCOO]- 379.00480 180.0
[M+CH3COO]- 393.02045 197.9
[M+Na-2H]- 354.98127 153.6
[M]+ 334.00605 163.8
[M]- 334.00715 163.8
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