CID 13570870

1-ethynylcyclohexyl methyl carbonate

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)OC1(CCCCC1)C#C
InChI
InChI=1S/C10H14O3/c1-3-10(13-9(11)12-2)7-5-4-6-8-10/h1H,4-8H2,2H3
InChIKey
DUKYMIANLXOGEL-UHFFFAOYSA-N
Compound name
(1-ethynylcyclohexyl) methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

182.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 139.5
[M+Na]+ 205.08352 147.9
[M-H]- 181.08702 141.5
[M+NH4]+ 200.12812 158.9
[M+K]+ 221.05746 145.0
[M+H-H2O]+ 165.09156 128.9
[M+HCOO]- 227.09250 154.3
[M+CH3COO]- 241.10815 186.5
[M+Na-2H]- 203.06897 143.7
[M]+ 182.09375 133.1
[M]- 182.09485 133.1
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