CID 70303

(propoxymethyl)benzene

Structural Information

Molecular Formula
C10H14O
SMILES
CCCOCC1=CC=CC=C1
InChI
InChI=1S/C10H14O/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
RPTKMZRQBREOMV-UHFFFAOYSA-N
Compound name
propoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2535
Patents

150.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.6
[M+Na]+ 173.09368 138.6
[M-H]- 149.09718 135.0
[M+NH4]+ 168.13828 152.9
[M+K]+ 189.06762 137.1
[M+H-H2O]+ 133.10172 125.9
[M+HCOO]- 195.10266 156.2
[M+CH3COO]- 209.11831 176.5
[M+Na-2H]- 171.07913 139.4
[M]+ 150.10391 133.4
[M]- 150.10501 133.4
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