CID 103403

2-penten-1-ol, benzoate, (2z)-

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC=CCOC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H14O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h3-9H,2,10H2,1H3
InChIKey
CSDCIXOZTUVBQA-UHFFFAOYSA-N
Compound name
pent-2-enyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

190.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.4
[M+Na]+ 213.08860 149.0
[M-H]- 189.09210 145.6
[M+NH4]+ 208.13320 161.9
[M+K]+ 229.06254 146.7
[M+H-H2O]+ 173.09664 136.3
[M+HCOO]- 235.09758 165.9
[M+CH3COO]- 249.11323 182.2
[M+Na-2H]- 211.07405 147.8
[M]+ 190.09883 144.1
[M]- 190.09993 144.1
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