CID 24843987

Carbamic acid, 3-phenyl-2-propynyl ester

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC=C(C=C1)C#CCOC(=O)N
InChI
InChI=1S/C10H9NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2,(H2,11,12)
InChIKey
YWLVTWCXBXRXFY-UHFFFAOYSA-N
Compound name
3-phenylprop-2-ynyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 141.1
[M+Na]+ 198.05254 150.2
[M-H]- 174.05604 142.6
[M+NH4]+ 193.09714 158.4
[M+K]+ 214.02648 146.5
[M+H-H2O]+ 158.06058 129.0
[M+HCOO]- 220.06152 159.6
[M+CH3COO]- 234.07717 187.2
[M+Na-2H]- 196.03799 145.5
[M]+ 175.06277 134.8
[M]- 175.06387 134.8
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