CID 287929

2-[methyl(prop-2-yn-1-yl)amino]ethan-1-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
CN(CCO)CC#C
InChI
InChI=1S/C6H11NO/c1-3-4-7(2)5-6-8/h1,8H,4-6H2,2H3
InChIKey
FKPAVGPHHCZBEB-UHFFFAOYSA-N
Compound name
2-[methyl(prop-2-ynyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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 122.6
[M+Na]+ 136.07328 131.2
[M-H]- 112.07678 122.4
[M+NH4]+ 131.11788 142.7
[M+K]+ 152.04722 130.7
[M+H-H2O]+ 96.081320 112.0
[M+HCOO]- 158.08226 141.1
[M+CH3COO]- 172.09791 182.1
[M+Na-2H]- 134.05873 128.1
[M]+ 113.08351 118.0
[M]- 113.08461 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe