CID 5316058

(1alpha,6alpha,7alphah)-2,4(15)-copadiene

Structural Information

Molecular Formula
C15H22
SMILES
CC(C)C1CCC2(C3C1C2C(=C)C=C3)C
InChI
InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3
InChIKey
ADVJSMBYHNLAGK-UHFFFAOYSA-N
Compound name
1-methyl-5-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.17215 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 157.6
[M+Na]+ 225.16137 162.4
[M-H]- 201.16487 158.8
[M+NH4]+ 220.20597 176.9
[M+K]+ 241.13531 161.5
[M+H-H2O]+ 185.16941 148.0
[M+HCOO]- 247.17035 168.0
[M+CH3COO]- 261.18600 199.2
[M+Na-2H]- 223.14682 163.0
[M]+ 202.17160 166.3
[M]- 202.17270 166.3
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

No patent data available for this compound.