CID 91375

2,6-dimethyloct-7-en-2-yl formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(CCCC(C)(C)OC=O)C=C
InChI
InChI=1S/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9-10H,1,6-8H2,2-4H3
InChIKey
ONXALCWZXZZQSG-UHFFFAOYSA-N
Compound name
2,6-dimethyloct-7-en-2-yl formate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

190
Patents

184.14633 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 144.4
[M+Na]+ 207.135548 150.5
[M-H]- 183.139054 144.4
[M+NH4]+ 202.180153 164.6
[M+K]+ 223.109488 149.6
[M+H-H2O]+ 167.143590 140.0
[M+HCOO]- 229.144531 165.0
[M+CH3COO]- 243.160181 185.6
[M+Na-2H]- 205.120996 148.5
[M]+ 184.14578142 148.1
[M]- 184.14687858 148.1
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

patents stripe