CID 23208428

2-amino-n-(prop-2-yn-1-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
C#CCNC(=O)CN
InChI
InChI=1S/C5H8N2O/c1-2-3-7-5(8)4-6/h1H,3-4,6H2,(H,7,8)
InChIKey
HMIGLLCMSYLMJN-UHFFFAOYSA-N
Compound name
2-amino-N-prop-2-ynylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

112.06366 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 124.4
[M+Na]+ 135.052878 132.6
[M-H]- 111.056384 123.6
[M+NH4]+ 130.097483 143.7
[M+K]+ 151.026818 131.7
[M+H-H2O]+ 95.060920 113.4
[M+HCOO]- 157.061861 143.4
[M+CH3COO]- 171.077511 181.7
[M+Na-2H]- 133.038326 129.1
[M]+ 112.06311142 116.8
[M]- 112.06420858 116.8
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