CID 590280

2-(3-isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methyl-cyclobutanone

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C)C(=C(C)C)C#CC1(CCC1=O)C
InChI
InChI=1S/C14H20O/c1-10(2)12(11(3)4)6-8-14(5)9-7-13(14)15/h10H,7,9H2,1-5H3
InChIKey
RLMQWGSUQMGDGC-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 149.9
[M+Na]+ 227.140628 156.9
[M-H]- 203.144134 152.6
[M+NH4]+ 222.185233 163.3
[M+K]+ 243.114568 157.2
[M+H-H2O]+ 187.148670 136.0
[M+HCOO]- 249.149611 162.5
[M+CH3COO]- 263.165261 199.1
[M+Na-2H]- 225.126076 149.3
[M]+ 204.15086142 152.0
[M]- 204.15195858 152.0
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

No patent data available for this compound.