CID 100939

Einecs 261-580-0

Structural Information

Molecular Formula
C16H26O
SMILES
CC1(CCC(C23C14C2CC(C4)C3(C)C)CO)C
InChI
InChI=1S/C16H26O/c1-13(2)6-5-10(9-17)16-12-7-11(14(16,3)4)8-15(12,13)16/h10-12,17H,5-9H2,1-4H3
InChIKey
SJFICIAGRWSYBO-UHFFFAOYSA-N
Compound name
(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

96
Patents

234.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 150.9
[M+Na]+ 257.18758 161.1
[M-H]- 233.19108 154.4
[M+NH4]+ 252.23218 179.8
[M+K]+ 273.16152 155.7
[M+H-H2O]+ 217.19562 149.0
[M+HCOO]- 279.19656 161.8
[M+CH3COO]- 293.21221 163.0
[M+Na-2H]- 255.17303 155.8
[M]+ 234.19781 157.8
[M]- 234.19891 157.8
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