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]+ 128.10700 126.6
[M+Na]+ 150.08894 134.8
[M-H]- 126.09244 126.3
[M+NH4]+ 145.13354 146.2
[M+K]+ 166.06288 134.1
[M+H-H2O]+ 110.09698 115.8
[M+HCOO]- 172.09792 144.8
[M+CH3COO]- 186.11357 184.8
[M+Na-2H]- 148.07439 131.6
[M]+ 127.09917 122.3
[M]- 127.10027 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