CID 377224

Nsc658458

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(C2CCC(C1O)(C=C2)OC)C
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-6-11(13-3,7-5-8)9(10)12/h4,6,8-9,12H,5,7H2,1-3H3
InChIKey
VCNKUKSBEVXCPK-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 143.9
[M+Na]+ 205.11990 150.9
[M-H]- 181.12340 140.4
[M+NH4]+ 200.16450 172.0
[M+K]+ 221.09384 148.3
[M+H-H2O]+ 165.12794 140.0
[M+HCOO]- 227.12888 155.4
[M+CH3COO]- 241.14453 155.3
[M+Na-2H]- 203.10535 155.8
[M]+ 182.13013 147.3
[M]- 182.13123 147.3
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.