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

29
Patents

182.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 139.5
[M+Na]+ 205.083518 147.9
[M-H]- 181.087024 141.5
[M+NH4]+ 200.128123 158.9
[M+K]+ 221.057458 145.0
[M+H-H2O]+ 165.091560 128.9
[M+HCOO]- 227.092501 154.3
[M+CH3COO]- 241.108151 186.5
[M+Na-2H]- 203.068966 143.7
[M]+ 182.09375142 133.1
[M]- 182.09484858 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