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 178.1
[M+Na]+ 330.20397 181.6
[M-H]- 306.20747 180.3
[M+NH4]+ 325.24857 192.7
[M+K]+ 346.17791 178.9
[M+H-H2O]+ 290.21201 170.0
[M+HCOO]- 352.21295 200.5
[M+CH3COO]- 366.22860 209.1
[M+Na-2H]- 328.18942 179.7
[M]+ 307.21420 183.7
[M]- 307.21530 183.7
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.