CID 3024269

6-methyl-3-(1-methylcyclopropyl)hept-2-en-1-ol

Structural Information

Molecular Formula
C12H22O
SMILES
CC(C)CCC(=CCO)C1(CC1)C
InChI
InChI=1S/C12H22O/c1-10(2)4-5-11(6-9-13)12(3)7-8-12/h6,10,13H,4-5,7-9H2,1-3H3
InChIKey
WQRXXEWXBPIPMP-UHFFFAOYSA-N
Compound name
6-methyl-3-(1-methylcyclopropyl)hept-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.9
[M+Na]+ 205.156288 150.9
[M-H]- 181.159794 146.9
[M+NH4]+ 200.200893 160.5
[M+K]+ 221.130228 148.7
[M+H-H2O]+ 165.164330 139.3
[M+HCOO]- 227.165271 163.0
[M+CH3COO]- 241.180921 185.9
[M+Na-2H]- 203.141736 146.9
[M]+ 182.16652142 146.6
[M]- 182.16761858 146.6
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.