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

3
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

patents stripe