CID 15560252

88-84-6

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C
InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
InChIKey
GIBQERSGRNPMEH-RYUDHWBXSA-N
Compound name
(1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

23
References

1135
Patents

204.1878 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 146.5
[M+Na]+ 227.17702 150.9
[M-H]- 203.18052 151.6
[M+NH4]+ 222.22162 167.6
[M+K]+ 243.15096 150.8
[M+H-H2O]+ 187.18506 142.6
[M+HCOO]- 249.18600 163.9
[M+CH3COO]- 263.20165 192.0
[M+Na-2H]- 225.16247 146.1
[M]+ 204.18725 140.4
[M]- 204.18835 140.4
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