CID 36150

32496-40-5

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)OCC#C
InChI
InChI=1S/C11H10ClNO2/c1-3-6-15-11(14)13-10-7-9(12)5-4-8(10)2/h1,4-5,7H,6H2,2H3,(H,13,14)
InChIKey
VFRTXLLPFLJJGO-UHFFFAOYSA-N
Compound name
prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 148.0
[M+Na]+ 246.02923 159.2
[M-H]- 222.03273 150.5
[M+NH4]+ 241.07383 165.2
[M+K]+ 262.00317 153.9
[M+H-H2O]+ 206.03727 137.1
[M+HCOO]- 268.03821 162.8
[M+CH3COO]- 282.05386 196.6
[M+Na-2H]- 244.01468 151.4
[M]+ 223.03946 145.6
[M]- 223.04056 145.6
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.