CID 21778220

10-hydroxy-isolaurene

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=C([C@](CC1)(C)C2=CC(=C(C=C2)C)O)C
InChI
InChI=1S/C15H20O/c1-10-7-8-15(4,12(10)3)13-6-5-11(2)14(16)9-13/h5-6,9,16H,7-8H2,1-4H3/t15-/m1/s1
InChIKey
AGMIVVAYCIYLIV-OAHLLOKOSA-N
Compound name
2-methyl-5-[(1S)-1,2,3-trimethylcyclopent-2-en-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 148.0
[M+Na]+ 239.14063 157.5
[M-H]- 215.14413 154.5
[M+NH4]+ 234.18523 170.7
[M+K]+ 255.11457 153.6
[M+H-H2O]+ 199.14867 143.2
[M+HCOO]- 261.14961 170.3
[M+CH3COO]- 275.16526 188.8
[M+Na-2H]- 237.12608 150.3
[M]+ 216.15086 148.4
[M]- 216.15196 148.4
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.