CID 13919649

Silphin-1-ene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@H]2[C@]13C=CC[C@]3(CC2(C)C)C
InChI
InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
InChIKey
VHIAMHVUKUKCHP-DHMWGJHJSA-N
Compound name
(1R,5S,8S,11R)-5,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.1878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.6
[M+Na]+ 227.17702 159.6
[M-H]- 203.18052 157.1
[M+NH4]+ 222.22162 182.6
[M+K]+ 243.15096 155.4
[M+H-H2O]+ 187.18506 147.4
[M+HCOO]- 249.18600 171.0
[M+CH3COO]- 263.20165 164.5
[M+Na-2H]- 225.16247 152.4
[M]+ 204.18725 149.8
[M]- 204.18835 149.8
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