CID 165591361

1-ethynyl-1-methoxycycloheptane

Structural Information

Molecular Formula
C10H16O
SMILES
COC1(CCCCCC1)C#C
InChI
InChI=1S/C10H16O/c1-3-10(11-2)8-6-4-5-7-9-10/h1H,4-9H2,2H3
InChIKey
ZZJLMGMTBZNSPA-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methoxycycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 128.4
[M+Na]+ 175.109338 134.8
[M-H]- 151.112844 131.4
[M+NH4]+ 170.153943 147.6
[M+K]+ 191.083278 134.4
[M+H-H2O]+ 135.117380 118.8
[M+HCOO]- 197.118321 143.0
[M+CH3COO]- 211.133971 186.2
[M+Na-2H]- 173.094786 133.6
[M]+ 152.11957142 118.3
[M]- 152.12066858 118.3
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

No patent data available for this compound.