CID 3010316

Cyclopropa[d]naphthalene-7-methanol, decahydro-a,a,4a-trimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
CC12CCCC3C1(C3)CC(CC2)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-13(2,16)11-6-8-14(3)7-4-5-12-10-15(12,14)9-11/h11-12,16H,4-10H2,1-3H3
InChIKey
DRZJMHNJQWFIES-UHFFFAOYSA-N
Compound name
2-(4a-methyl-1a,2,3,4,5,6,7,8-octahydro-1H-cyclopropa[j]naphthalen-7-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.6
[M+Na]+ 245.18758 162.9
[M-H]- 221.19108 160.9
[M+NH4]+ 240.23218 174.9
[M+K]+ 261.16152 160.9
[M+H-H2O]+ 205.19562 152.1
[M+HCOO]- 267.19656 168.4
[M+CH3COO]- 281.21221 191.9
[M+Na-2H]- 243.17303 162.6
[M]+ 222.19781 154.6
[M]- 222.19891 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe