CID 111377

3h-naphth[1,8a-b]oxiren-7-ol, octahydro-4,4,7-trimethyl-

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1(CCC2C3(C1CCC(C3)(C)O)O2)C
InChI
InChI=1S/C13H22O2/c1-11(2)6-5-10-13(15-10)8-12(3,14)7-4-9(11)13/h9-10,14H,4-8H2,1-3H3
InChIKey
QVVMFJUENNEJOJ-UHFFFAOYSA-N
Compound name
4,4,7-trimethyl-2,3,4a,5,6,8-hexahydro-1aH-naphtho[1,8a-b]oxiren-7-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

210.16199 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.8
[M+Na]+ 233.151208 158.5
[M-H]- 209.154714 155.8
[M+NH4]+ 228.195813 169.4
[M+K]+ 249.125148 158.8
[M+H-H2O]+ 193.159250 145.7
[M+HCOO]- 255.160191 162.5
[M+CH3COO]- 269.175841 161.8
[M+Na-2H]- 231.136656 157.5
[M]+ 210.16144142 150.7
[M]- 210.16253858 150.7
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