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

literature stripe

Patent stripe

patents stripe