CID 45087310

634605-30-4

Structural Information

Molecular Formula
C7H13NO
SMILES
CN(CCC#C)CCO
InChI
InChI=1S/C7H13NO/c1-3-4-5-8(2)6-7-9/h1,9H,4-7H2,2H3
InChIKey
VDXCQWFSLPERMO-UHFFFAOYSA-N
Compound name
2-[but-3-ynyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.6
[M+Na]+ 150.088938 134.8
[M-H]- 126.092444 126.3
[M+NH4]+ 145.133543 146.2
[M+K]+ 166.062878 134.1
[M+H-H2O]+ 110.096980 115.8
[M+HCOO]- 172.097921 144.8
[M+CH3COO]- 186.113571 184.8
[M+Na-2H]- 148.074386 131.6
[M]+ 127.09917142 122.3
[M]- 127.10026858 122.3
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