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]+ 114.09134 121.9
[M+Na]+ 136.07328 130.6
[M-H]- 112.07678 121.1
[M+NH4]+ 131.11788 141.8
[M+K]+ 152.04722 129.5
[M+H-H2O]+ 96.081320 111.3
[M+HCOO]- 158.08226 140.7
[M+CH3COO]- 172.09791 180.8
[M+Na-2H]- 134.05873 127.6
[M]+ 113.08351 117.0
[M]- 113.08461 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