CID 60674144

3-[(prop-2-yn-1-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C6H11NO
SMILES
C#CCNCCCO
InChI
InChI=1S/C6H11NO/c1-2-4-7-5-3-6-8/h1,7-8H,3-6H2
InChIKey
VQHDWRSARRFYDF-UHFFFAOYSA-N
Compound name
3-(prop-2-ynylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 122.7
[M+Na]+ 136.07328 131.1
[M-H]- 112.07678 121.2
[M+NH4]+ 131.11788 142.2
[M+K]+ 152.04722 129.5
[M+H-H2O]+ 96.081320 112.3
[M+HCOO]- 158.08226 140.8
[M+CH3COO]- 172.09791 179.0
[M+Na-2H]- 134.05873 128.9
[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