CID 55298920

N-cyclopropylprop-2-ynamide

Structural Information

Molecular Formula
C6H7NO
SMILES
C#CC(=O)NC1CC1
InChI
InChI=1S/C6H7NO/c1-2-6(8)7-5-3-4-5/h1,5H,3-4H2,(H,7,8)
InChIKey
DAZDJUSRUDPVJW-UHFFFAOYSA-N
Compound name
N-cyclopropylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

109.052765 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.060041 118.7
[M+Na]+ 132.041983 133.6
[M-H]- 108.045489 124.2
[M+NH4]+ 127.086588 136.2
[M+K]+ 148.015923 128.4
[M+H-H2O]+ 92.050025 110.0
[M+HCOO]- 154.050966 139.5
[M+CH3COO]- 168.066616 182.6
[M+Na-2H]- 130.027431 126.5
[M]+ 109.05221642 116.5
[M]- 109.05331358 116.5
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