CID 24092

1-pentyn-3-ol, 1-chloro-3-ethyl-

Structural Information

Molecular Formula
C7H11ClO
SMILES
CCC(CC)(C#CCl)O
InChI
InChI=1S/C7H11ClO/c1-3-7(9,4-2)5-6-8/h9H,3-4H2,1-2H3
InChIKey
UBASENLXRNMXCM-UHFFFAOYSA-N
Compound name
1-chloro-3-ethylpent-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 130.7
[M+Na]+ 169.039058 141.0
[M-H]- 145.042564 129.7
[M+NH4]+ 164.083663 150.5
[M+K]+ 185.012998 137.3
[M+H-H2O]+ 129.047100 122.2
[M+HCOO]- 191.048041 142.3
[M+CH3COO]- 205.063691 180.6
[M+Na-2H]- 167.024506 136.4
[M]+ 146.04929142 127.2
[M]- 146.05038858 127.2
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.