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]+ 211.16927 149.8
[M+Na]+ 233.15121 158.5
[M-H]- 209.15471 155.8
[M+NH4]+ 228.19581 169.4
[M+K]+ 249.12515 158.8
[M+H-H2O]+ 193.15925 145.7
[M+HCOO]- 255.16019 162.5
[M+CH3COO]- 269.17584 161.8
[M+Na-2H]- 231.13666 157.5
[M]+ 210.16144 150.7
[M]- 210.16254 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