CID 119925

Hydroperoxide, 2,6,6-trimethylbicyclo(3.1.1)hept-2-yl

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1CC(C2CC1C2(C)C)OO
InChI
InChI=1S/C10H18O2/c1-6-4-9(12-11)8-5-7(6)10(8,2)3/h6-9,11H,4-5H2,1-3H3
InChIKey
ORRVPSGGVIRRTF-UHFFFAOYSA-N
Compound name
2-hydroperoxy-4,6,6-trimethylbicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

170.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 148.2
[M+Na]+ 193.11990 154.3
[M-H]- 169.12340 146.7
[M+NH4]+ 188.16450 168.2
[M+K]+ 209.09384 155.4
[M+H-H2O]+ 153.12794 140.8
[M+HCOO]- 215.12888 160.2
[M+CH3COO]- 229.14453 187.4
[M+Na-2H]- 191.10535 156.5
[M]+ 170.13013 160.1
[M]- 170.13123 160.1
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