CID 3023161

(3-(allyloxy)propyl)benzene

Structural Information

Molecular Formula
C12H16O
SMILES
C=CCOCCCC1=CC=CC=C1
InChI
InChI=1S/C12H16O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2
InChIKey
ZAJDPZZYLOEGDB-UHFFFAOYSA-N
Compound name
3-prop-2-enoxypropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 139.6
[M+Na]+ 199.109338 146.0
[M-H]- 175.112844 142.6
[M+NH4]+ 194.153943 159.8
[M+K]+ 215.083278 143.4
[M+H-H2O]+ 159.117380 133.5
[M+HCOO]- 221.118321 163.6
[M+CH3COO]- 235.133971 181.7
[M+Na-2H]- 197.094786 146.3
[M]+ 176.11957142 141.4
[M]- 176.12066858 141.4
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