CID 3022580

Hcrgrvzlfblugi-uhfffaoysa-n

Structural Information

Molecular Formula
C12H20O
SMILES
CC1C=C(CCC1C=CCOC)C
InChI
InChI=1S/C12H20O/c1-10-6-7-12(11(2)9-10)5-4-8-13-3/h4-5,9,11-12H,6-8H2,1-3H3
InChIKey
HCRGRVZLFBLUGI-UHFFFAOYSA-N
Compound name
4-(3-methoxyprop-1-enyl)-1,3-dimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 141.9
[M+Na]+ 203.140628 148.3
[M-H]- 179.144134 145.1
[M+NH4]+ 198.185233 162.6
[M+K]+ 219.114568 146.2
[M+H-H2O]+ 163.148670 136.5
[M+HCOO]- 225.149611 163.1
[M+CH3COO]- 239.165261 183.9
[M+Na-2H]- 201.126076 145.3
[M]+ 180.15086142 141.6
[M]- 180.15195858 141.6
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

No patent data available for this compound.