CID 6433237

Cinnamyl carbamate

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)N
InChI
InChI=1S/C10H11NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H2,11,12)/b7-4+
InChIKey
LXKLUWFIBVXFGX-QPJJXVBHSA-N
Compound name
[(E)-3-phenylprop-2-enyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5601
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.9
[M+Na]+ 200.06820 144.4
[M-H]- 176.07170 140.9
[M+NH4]+ 195.11280 157.3
[M+K]+ 216.04214 142.2
[M+H-H2O]+ 160.07624 131.7
[M+HCOO]- 222.07718 162.5
[M+CH3COO]- 236.09283 180.3
[M+Na-2H]- 198.05365 143.5
[M]+ 177.07843 137.1
[M]- 177.07953 137.1
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