CID 56843053

Einecs 284-819-0

Structural Information

Molecular Formula
C15H26O
SMILES
CC1C(C/C=C(\CCC2C1CC2(C)C)/C)O
InChI
InChI=1S/C15H26O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h6,11-14,16H,5,7-9H2,1-4H3/b10-6-
InChIKey
AYSAWMBRFWEREX-POHAHGRESA-N
Compound name
(5Z)-2,6,10,10-tetramethylbicyclo[7.2.0]undec-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 148.6
[M+Na]+ 245.187578 159.8
[M-H]- 221.191084 152.6
[M+NH4]+ 240.232183 153.0
[M+K]+ 261.161518 154.6
[M+H-H2O]+ 205.195620 144.8
[M+HCOO]- 267.196561 154.6
[M+CH3COO]- 281.212211 156.2
[M+Na-2H]- 243.173026 159.1
[M]+ 222.19781142 153.7
[M]- 222.19890858 153.7
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.