CID 221794

Propynyl n-phenylcarbamate

Structural Information

Molecular Formula
C10H9NO2
SMILES
C#CCOC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H9NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12)
InChIKey
YSZCDDOREQFOHK-UHFFFAOYSA-N
Compound name
prop-2-ynyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

175.06332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 139.9
[M+Na]+ 198.05254 148.8
[M-H]- 174.05604 141.8
[M+NH4]+ 193.09714 157.3
[M+K]+ 214.02648 145.5
[M+H-H2O]+ 158.06058 127.7
[M+HCOO]- 220.06152 158.8
[M+CH3COO]- 234.07717 188.4
[M+Na-2H]- 196.03799 145.2
[M]+ 175.06277 134.5
[M]- 175.06387 134.5
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