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]+ 137.13248 123.0
[M+Na]+ 159.11442 141.2
[M-H]- 135.11792 130.4
[M+NH4]+ 154.15902 146.0
[M+K]+ 175.08836 136.0
[M+H-H2O]+ 119.12246 118.5
[M+HCOO]- 181.12340 141.7
[M+CH3COO]- 195.13905 189.4
[M+Na-2H]- 157.09987 132.3
[M]+ 136.12465 125.1
[M]- 136.12575 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.