CID 3016386

42822-98-0

Structural Information

Molecular Formula
C16H23N
SMILES
CC(CCC=C(C)C)CC=NC1=CC=CC=C1
InChI
InChI=1S/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
InChIKey
YISAHFPSGNFFAI-UHFFFAOYSA-N
Compound name
3,7-dimethyl-N-phenyloct-6-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

229.18304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19032 158.6
[M+Na]+ 252.17226 162.8
[M-H]- 228.17576 162.5
[M+NH4]+ 247.21686 177.0
[M+K]+ 268.14620 159.8
[M+H-H2O]+ 212.18030 151.4
[M+HCOO]- 274.18124 181.8
[M+CH3COO]- 288.19689 198.6
[M+Na-2H]- 250.15771 161.3
[M]+ 229.18249 159.4
[M]- 229.18359 159.4
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.