CID 59937111

1-ethynyl-1,2,2,3,3-pentamethylcyclopropane

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C(C1(C)C#C)(C)C)C
InChI
InChI=1S/C10H16/c1-7-10(6)8(2,3)9(10,4)5/h1H,2-6H3
InChIKey
KWKXEJMNNYWBHF-UHFFFAOYSA-N
Compound name
1-ethynyl-1,2,2,3,3-pentamethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

136.1252 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 123.0
[M+Na]+ 159.114418 141.2
[M-H]- 135.117924 130.4
[M+NH4]+ 154.159023 146.0
[M+K]+ 175.088358 136.0
[M+H-H2O]+ 119.122460 118.5
[M+HCOO]- 181.123401 141.7
[M+CH3COO]- 195.139051 189.4
[M+Na-2H]- 157.099866 132.3
[M]+ 136.12465142 125.1
[M]- 136.12574858 125.1
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.