CID 14792884

2-[(2-methylbut-3-yn-2-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(C)(C#C)NCCO
InChI
InChI=1S/C7H13NO/c1-4-7(2,3)8-5-6-9/h1,8-9H,5-6H2,2-3H3
InChIKey
VXJGQOYSBXKDRL-UHFFFAOYSA-N
Compound name
2-(2-methylbut-3-yn-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 128.4
[M+Na]+ 150.08894 137.3
[M+NH4]+ 145.13354 132.3
[M+K]+ 166.06288 129.9
[M-H]- 126.09244 119.7
[M+Na-2H]- 148.07439 129.3
[M]+ 127.09917 126.2
[M]- 127.10027 126.2
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

No patent data available for this compound.