CID 92138

Elemol

Structural Information

Molecular Formula
C15H26O
SMILES
CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
InChIKey
GFJIQNADMLPFOW-VNHYZAJKSA-N
Compound name
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

1397
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 153.6
[M+Na]+ 245.18758 158.6
[M-H]- 221.19108 155.2
[M+NH4]+ 240.23218 173.7
[M+K]+ 261.16152 155.6
[M+H-H2O]+ 205.19562 149.9
[M+HCOO]- 267.19656 168.4
[M+CH3COO]- 281.21221 191.3
[M+Na-2H]- 243.17303 154.9
[M]+ 222.19781 149.6
[M]- 222.19891 149.6
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