CID 520957

.alpha.-longipinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCC2C3C1C2(CCCC3(C)C)C
InChI
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3
InChIKey
HICYDYJTCDBHMZ-UHFFFAOYSA-N
Compound name
2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

574
Patents

204.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 161.4
[M+Na]+ 227.17702 167.5
[M-H]- 203.18052 165.0
[M+NH4]+ 222.22162 182.0
[M+K]+ 243.15096 166.2
[M+H-H2O]+ 187.18506 155.4
[M+HCOO]- 249.18600 172.9
[M+CH3COO]- 263.20165 172.0
[M+Na-2H]- 225.16247 168.2
[M]+ 204.18725 168.6
[M]- 204.18835 168.6
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