CID 7778

Citronellyl formate

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

13
References

3595
Patents

184.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.6
[M+Na]+ 207.13555 151.1
[M-H]- 183.13905 145.3
[M+NH4]+ 202.18015 165.6
[M+K]+ 223.10949 150.2
[M+H-H2O]+ 167.14359 140.5
[M+HCOO]- 229.14453 166.8
[M+CH3COO]- 243.16018 185.4
[M+Na-2H]- 205.12100 147.6
[M]+ 184.14578 149.0
[M]- 184.14688 149.0
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

patents stripe