CID 10776235

Alcyopterosin a

Structural Information

Molecular Formula
C15H21Cl
SMILES
CC1=CC2=C(CC(C2)(C)C)C(=C1CCCl)C
InChI
InChI=1S/C15H21Cl/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-16/h7H,5-6,8-9H2,1-4H3
InChIKey
AOZZRIFMYYWXLE-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-2,2,4,6-tetramethyl-1,3-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

236.13318 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14046 154.0
[M+Na]+ 259.12240 164.8
[M-H]- 235.12590 159.0
[M+NH4]+ 254.16700 178.8
[M+K]+ 275.09634 159.0
[M+H-H2O]+ 219.13044 150.2
[M+HCOO]- 281.13138 171.2
[M+CH3COO]- 295.14703 195.1
[M+Na-2H]- 257.10785 156.6
[M]+ 236.13263 157.8
[M]- 236.13373 157.8
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