CID 58615933

880160-62-3

Structural Information

Molecular Formula
C12H13NO2
SMILES
CN(CC1=CC=C(C=C1)C#C)C(=O)OC
InChI
InChI=1S/C12H13NO2/c1-4-10-5-7-11(8-6-10)9-13(2)12(14)15-3/h1,5-8H,9H2,2-3H3
InChIKey
ZPXNMCNMXGAPTJ-UHFFFAOYSA-N
Compound name
methyl N-[(4-ethynylphenyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

203.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 146.8
[M+Na]+ 226.08386 156.0
[M-H]- 202.08736 150.1
[M+NH4]+ 221.12846 164.1
[M+K]+ 242.05780 153.5
[M+H-H2O]+ 186.09190 134.4
[M+HCOO]- 248.09284 165.7
[M+CH3COO]- 262.10849 198.0
[M+Na-2H]- 224.06931 150.0
[M]+ 203.09409 143.6
[M]- 203.09519 143.6
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