CID 111274

2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1r,4r)-rel-

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=C)[C@@H]1CC[C@@](C=C1)(C)O
InChI
InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1
InChIKey
MKPMHJQMNACGDI-UWVGGRQHSA-N
Compound name
(1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

684
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.5
[M+Na]+ 175.10934 140.0
[M-H]- 151.11284 135.8
[M+NH4]+ 170.15394 156.2
[M+K]+ 191.08328 138.1
[M+H-H2O]+ 135.11738 129.5
[M+HCOO]- 197.11832 152.8
[M+CH3COO]- 211.13397 175.1
[M+Na-2H]- 173.09479 138.1
[M]+ 152.11957 129.9
[M]- 152.12067 129.9
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