CID 12678979

(2e)-n-phenyloctan-2-imine

Structural Information

Molecular Formula
C14H21N
SMILES
CCCCCCC(=NC1=CC=CC=C1)C
InChI
InChI=1S/C14H21N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKey
TUDBHZZQZNQGKS-UHFFFAOYSA-N
Compound name
N-phenyloctan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 150.1
[M+Na]+ 226.15662 155.0
[M-H]- 202.16012 154.2
[M+NH4]+ 221.20122 169.6
[M+K]+ 242.13056 152.6
[M+H-H2O]+ 186.16466 143.1
[M+HCOO]- 248.16560 174.7
[M+CH3COO]- 262.18125 193.4
[M+Na-2H]- 224.14207 155.1
[M]+ 203.16685 151.5
[M]- 203.16795 151.5
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