CID 14414154

120749-18-0

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(=C)C12CCC3(C(C1O2)O3)C
InChI
InChI=1S/C10H14O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h7-8H,1,4-5H2,2-3H3
InChIKey
CJWLGOWMMDDXLV-UHFFFAOYSA-N
Compound name
4-methyl-7-prop-1-en-2-yl-3,8-dioxatricyclo[5.1.0.02,4]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 150.6
[M+Na]+ 189.08860 159.4
[M-H]- 165.09210 158.0
[M+NH4]+ 184.13320 162.5
[M+K]+ 205.06254 162.5
[M+H-H2O]+ 149.09664 146.3
[M+HCOO]- 211.09758 163.1
[M+CH3COO]- 225.11323 161.4
[M+Na-2H]- 187.07405 157.5
[M]+ 166.09883 156.8
[M]- 166.09993 156.8
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

No patent data available for this compound.