CID 221509

1,2-dipropoxybenzene

Structural Information

Molecular Formula
C12H18O2
SMILES
CCCOC1=CC=CC=C1OCCC
InChI
InChI=1S/C12H18O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKey
XUIKECLBCZBUCM-UHFFFAOYSA-N
Compound name
1,2-dipropoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

457
Patents

194.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.7
[M+Na]+ 217.11990 150.8
[M-H]- 193.12340 147.1
[M+NH4]+ 212.16450 163.5
[M+K]+ 233.09384 149.2
[M+H-H2O]+ 177.12794 137.5
[M+HCOO]- 239.12888 167.8
[M+CH3COO]- 253.14453 185.6
[M+Na-2H]- 215.10535 149.7
[M]+ 194.13013 148.0
[M]- 194.13123 148.0
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