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]+ 110.06004 118.7
[M+Na]+ 132.04198 133.6
[M-H]- 108.04549 124.2
[M+NH4]+ 127.08659 136.2
[M+K]+ 148.01592 128.4
[M+H-H2O]+ 92.050025 110.0
[M+HCOO]- 154.05097 139.5
[M+CH3COO]- 168.06662 182.6
[M+Na-2H]- 130.02743 126.5
[M]+ 109.05222 116.5
[M]- 109.05331 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

No patent data available for this compound.