CID 578929

Alpha-panasinsene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCCC2(C13CC(C3CC2)(C)C)C
InChI
InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h6,12H,5,7-10H2,1-4H3
InChIKey
WHXUZXDWQKUIJL-UHFFFAOYSA-N
Compound name
2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.7
[M+Na]+ 227.17702 157.2
[M-H]- 203.18052 156.2
[M+NH4]+ 222.22162 172.2
[M+K]+ 243.15096 155.8
[M+H-H2O]+ 187.18506 142.3
[M+HCOO]- 249.18600 167.1
[M+CH3COO]- 263.20165 192.3
[M+Na-2H]- 225.16247 154.6
[M]+ 204.18725 157.1
[M]- 204.18835 157.1
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