CID 22404716

N-(prop-2-yn-1-yl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C7H9NO
SMILES
C#CCNC(=O)C1CC1
InChI
InChI=1S/C7H9NO/c1-2-5-8-7(9)6-3-4-6/h1,6H,3-5H2,(H,8,9)
InChIKey
FYDSENXDPXGXEX-UHFFFAOYSA-N
Compound name
N-prop-2-ynylcyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.4
[M+Na]+ 146.05763 136.9
[M-H]- 122.06113 127.7
[M+NH4]+ 141.10223 139.4
[M+K]+ 162.03157 131.4
[M+H-H2O]+ 106.06567 113.6
[M+HCOO]- 168.06661 142.9
[M+CH3COO]- 182.08226 185.2
[M+Na-2H]- 144.04308 129.7
[M]+ 123.06786 120.5
[M]- 123.06896 120.5
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