CID 10820512

1-ethynylcyclohex-2-en-1-ol

Structural Information

Molecular Formula
C8H10O
SMILES
C#CC1(CCCC=C1)O
InChI
InChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h1,4,6,9H,3,5,7H2
InChIKey
MAWMRWVKCHBDAF-UHFFFAOYSA-N
Compound name
1-ethynylcyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

122.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 126.5
[M+Na]+ 145.062384 136.2
[M-H]- 121.065890 127.8
[M+NH4]+ 140.106989 147.6
[M+K]+ 161.036324 131.8
[M+H-H2O]+ 105.070426 116.6
[M+HCOO]- 167.071367 142.1
[M+CH3COO]- 181.087017 176.0
[M+Na-2H]- 143.047832 133.0
[M]+ 122.07261742 117.7
[M]- 122.07371458 117.7
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