CID 521214

53840-55-4

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=C1CCC2(CCCC(C2C1)(C)O)C)C
InChI
InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3
InChIKey
STRABSCAWZINIF-UHFFFAOYSA-N
Compound name
1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.0
[M+Na]+ 245.18758 159.7
[M-H]- 221.19108 157.1
[M+NH4]+ 240.23218 177.9
[M+K]+ 261.16152 156.6
[M+H-H2O]+ 205.19562 150.6
[M+HCOO]- 267.19656 168.0
[M+CH3COO]- 281.21221 189.0
[M+Na-2H]- 243.17303 157.3
[M]+ 222.19781 148.2
[M]- 222.19891 148.2
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