CID 573880

Agn-pc-0jt4j8

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC(C(=CCC2C1CC2(C)C)C)O
InChI
InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,10,12-14,16H,6-9H2,1-4H3
InChIKey
QYGTVPFTIUUDSL-UHFFFAOYSA-N
Compound name
4,8,11,11-tetramethylbicyclo[7.2.0]undec-3-en-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.19836 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe