CID 50274

Bk-67

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)OCCC
InChI
InChI=1S/C18H29NO3/c1-3-5-6-7-8-11-15-21-17-13-10-9-12-16(17)19-18(20)22-14-4-2/h9-10,12-13H,3-8,11,14-15H2,1-2H3,(H,19,20)
InChIKey
YYWSGFOHSIGMKS-UHFFFAOYSA-N
Compound name
propyl N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 177.7
[M+Na]+ 330.20397 187.2
[M+NH4]+ 325.24857 183.7
[M+K]+ 346.17791 179.8
[M-H]- 306.20747 179.0
[M+Na-2H]- 328.18942 181.6
[M]+ 307.21420 179.1
[M]- 307.21530 179.1
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.