CID 520909

Alpha-himachalene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC2C(CC1)C(=C)CCCC2(C)C
InChI
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3
InChIKey
ZJSIKVDEOWWVEH-UHFFFAOYSA-N
Compound name
3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

242
Patents

204.1878 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 144.3
[M+Na]+ 227.17702 148.9
[M-H]- 203.18052 149.3
[M+NH4]+ 222.22162 165.5
[M+K]+ 243.15096 148.7
[M+H-H2O]+ 187.18506 140.3
[M+HCOO]- 249.18600 160.6
[M+CH3COO]- 263.20165 191.7
[M+Na-2H]- 225.16247 147.4
[M]+ 204.18725 137.1
[M]- 204.18835 137.1
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