CID 62343032

2803861-10-9

Structural Information

Molecular Formula
C6H11NO
SMILES
C#CCCOCCN
InChI
InChI=1S/C6H11NO/c1-2-3-5-8-6-4-7/h1H,3-7H2
InChIKey
WUOZVGWFNFOOOX-UHFFFAOYSA-N
Compound name
2-but-3-ynoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 121.9
[M+Na]+ 136.073278 130.6
[M-H]- 112.076784 121.1
[M+NH4]+ 131.117883 141.8
[M+K]+ 152.047218 129.5
[M+H-H2O]+ 96.081320 111.3
[M+HCOO]- 158.082261 140.7
[M+CH3COO]- 172.097911 180.8
[M+Na-2H]- 134.058726 127.6
[M]+ 113.08351142 117.0
[M]- 113.08460858 117.0
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

patents stripe