CID 12311396

Longipinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CC[C@@H]2[C@@H]3[C@H]1[C@]2(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/t11-,12+,13-,15+/m1/s1
InChIKey
HICYDYJTCDBHMZ-COMQUAJESA-N
Compound name
(1R,2S,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

333
Patents

204.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 161.4
[M+Na]+ 227.177018 167.5
[M-H]- 203.180524 165.0
[M+NH4]+ 222.221623 182.0
[M+K]+ 243.150958 166.2
[M+H-H2O]+ 187.185060 155.4
[M+HCOO]- 249.186001 172.9
[M+CH3COO]- 263.201651 172.0
[M+Na-2H]- 225.162466 168.2
[M]+ 204.18725142 168.6
[M]- 204.18834858 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