CID 15266968

1-ethoxypent-2-yne

Structural Information

Molecular Formula
C7H12O
SMILES
CCC#CCOCC
InChI
InChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3-4,7H2,1-2H3
InChIKey
CZJRAKLNHAXUMW-UHFFFAOYSA-N
Compound name
1-ethoxypent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 120.6
[M+Na]+ 135.078028 130.2
[M-H]- 111.081534 120.6
[M+NH4]+ 130.122633 141.5
[M+K]+ 151.051968 129.1
[M+H-H2O]+ 95.086070 110.6
[M+HCOO]- 157.087011 139.1
[M+CH3COO]- 171.102661 178.8
[M+Na-2H]- 133.063476 127.1
[M]+ 112.08826142 117.8
[M]- 112.08935858 117.8
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