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

14
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 141.1
[M+Na]+ 198.052538 150.2
[M-H]- 174.056044 142.6
[M+NH4]+ 193.097143 158.4
[M+K]+ 214.026478 146.5
[M+H-H2O]+ 158.060580 129.0
[M+HCOO]- 220.061521 159.6
[M+CH3COO]- 234.077171 187.2
[M+Na-2H]- 196.037986 145.5
[M]+ 175.06277142 134.8
[M]- 175.06386858 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