CID 14717570

Pinanyl hydroperoxide

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1CCC2CC1(C2(C)C)OO
InChI
InChI=1S/C10H18O2/c1-7-4-5-8-6-10(7,12-11)9(8,2)3/h7-8,11H,4-6H2,1-3H3
InChIKey
QVRCRSYOVMLBKS-UHFFFAOYSA-N
Compound name
1-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

170.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 150.3
[M+Na]+ 193.11990 156.6
[M-H]- 169.12340 148.9
[M+NH4]+ 188.16450 172.0
[M+K]+ 209.09384 157.4
[M+H-H2O]+ 153.12794 143.3
[M+HCOO]- 215.12888 162.2
[M+CH3COO]- 229.14453 186.0
[M+Na-2H]- 191.10535 160.0
[M]+ 170.13013 162.3
[M]- 170.13123 162.3
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.