CID 13976681

Einecs 274-160-7

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C(CC2(C)C)C(=C)CCC1O
InChI
InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h11-14,16H,1,5-9H2,2-4H3
InChIKey
QELLKMAQROACFQ-UHFFFAOYSA-N
Compound name
6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 147.8
[M+Na]+ 245.18758 159.3
[M-H]- 221.19108 152.0
[M+NH4]+ 240.23218 152.4
[M+K]+ 261.16152 154.0
[M+H-H2O]+ 205.19562 144.2
[M+HCOO]- 267.19656 154.0
[M+CH3COO]- 281.21221 155.5
[M+Na-2H]- 243.17303 158.5
[M]+ 222.19781 153.1
[M]- 222.19891 153.1
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

patents stripe