CID 3051860

(4-iodophenyl)methyl octylcarbamate

Structural Information

Molecular Formula
C16H24INO2
SMILES
CCCCCCCCNC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C16H24INO2/c1-2-3-4-5-6-7-12-18-16(19)20-13-14-8-10-15(17)11-9-14/h8-11H,2-7,12-13H2,1H3,(H,18,19)
InChIKey
JJPKBELLAUEUPK-UHFFFAOYSA-N
Compound name
(4-iodophenyl)methyl N-octylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.08517 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09245 185.6
[M+Na]+ 412.07439 182.7
[M-H]- 388.07789 180.8
[M+NH4]+ 407.11899 196.3
[M+K]+ 428.04833 185.4
[M+H-H2O]+ 372.08243 174.1
[M+HCOO]- 434.08337 202.7
[M+CH3COO]- 448.09902 211.1
[M+Na-2H]- 410.05984 175.0
[M]+ 389.08462 186.0
[M]- 389.08572 186.0
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.