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

15
Patents

113.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 122.7
[M+Na]+ 136.073278 131.1
[M-H]- 112.076784 121.2
[M+NH4]+ 131.117883 142.2
[M+K]+ 152.047218 129.5
[M+H-H2O]+ 96.081320 112.3
[M+HCOO]- 158.082261 140.8
[M+CH3COO]- 172.097911 179.0
[M+Na-2H]- 134.058726 128.9
[M]+ 113.08351142 117.0
[M]- 113.08460858 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