CID 11074502

Sesquicarene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C[C@@H]2[C@@H]([C@@]2(C)CCC=C(C)C)CC1
InChI
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)10-14(13)15/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14+,15+/m0/s1
InChIKey
MZOWOHKNFKJFFD-RRFJBIMHSA-N
Compound name
(1R,6S,7R)-3,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

204.1878 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.7
[M+Na]+ 227.17702 158.2
[M-H]- 203.18052 154.8
[M+NH4]+ 222.22162 167.5
[M+K]+ 243.15096 154.9
[M+H-H2O]+ 187.18506 144.6
[M+HCOO]- 249.18600 168.3
[M+CH3COO]- 263.20165 194.2
[M+Na-2H]- 225.16247 153.4
[M]+ 204.18725 152.4
[M]- 204.18835 152.4
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