CID 20290225

N-ethyl-n-(prop-2-yn-1-yl)carbamoyl chloride

Structural Information

Molecular Formula
C6H8ClNO
SMILES
CCN(CC#C)C(=O)Cl
InChI
InChI=1S/C6H8ClNO/c1-3-5-8(4-2)6(7)9/h1H,4-5H2,2H3
InChIKey
YENIJLHVLRUQGR-UHFFFAOYSA-N
Compound name
N-ethyl-N-prop-2-ynylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03671 127.4
[M+Na]+ 168.01865 137.4
[M-H]- 144.02215 128.5
[M+NH4]+ 163.06325 147.7
[M+K]+ 183.99259 135.2
[M+H-H2O]+ 128.02669 117.6
[M+HCOO]- 190.02763 142.5
[M+CH3COO]- 204.04328 187.3
[M+Na-2H]- 166.00410 131.8
[M]+ 145.02888 124.8
[M]- 145.02998 124.8
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