CID 42608169

Lmpr0103490003

Structural Information

Molecular Formula
C16H24
SMILES
CC1=CC(=C)C2C3C1[C@@]2(CCCC3(C)C)C
InChI
InChI=1S/C16H24/c1-10-9-11(2)13-14-12(10)16(13,5)8-6-7-15(14,3)4/h9,12-14H,1,6-8H2,2-5H3/t12?,13?,14?,16-/m1/s1
InChIKey
XHHIKHVPBSQUIJ-RWJFHBPKSA-N
Compound name
(2S)-2,6,6,9-tetramethyl-11-methylidenetricyclo[5.4.0.02,8]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1878 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19508 164.6
[M+Na]+ 239.17702 171.3
[M-H]- 215.18052 168.3
[M+NH4]+ 234.22162 184.9
[M+K]+ 255.15096 169.4
[M+H-H2O]+ 199.18506 158.8
[M+HCOO]- 261.18600 175.8
[M+CH3COO]- 275.20165 175.1
[M+Na-2H]- 237.16247 170.3
[M]+ 216.18725 171.7
[M]- 216.18835 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.