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]+ 146.036706 127.4
[M+Na]+ 168.018648 137.4
[M-H]- 144.022154 128.5
[M+NH4]+ 163.063253 147.7
[M+K]+ 183.992588 135.2
[M+H-H2O]+ 128.026690 117.6
[M+HCOO]- 190.027631 142.5
[M+CH3COO]- 204.043281 187.3
[M+Na-2H]- 166.004096 131.8
[M]+ 145.02888142 124.8
[M]- 145.02997858 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