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]+ 153.12740 128.4
[M+Na]+ 175.10934 134.8
[M-H]- 151.11284 131.4
[M+NH4]+ 170.15394 147.6
[M+K]+ 191.08328 134.4
[M+H-H2O]+ 135.11738 118.8
[M+HCOO]- 197.11832 143.0
[M+CH3COO]- 211.13397 186.2
[M+Na-2H]- 173.09479 133.6
[M]+ 152.11957 118.3
[M]- 152.12067 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.