CID 444596

Retinylamine

Structural Information

Molecular Formula
C20H31N
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C
InChI
InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKey
ILYSIVSSNXQZQG-OVSJKPMPSA-N
Compound name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

336
Patents

285.24564 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.25292 174.7
[M+Na]+ 308.23486 178.4
[M-H]- 284.23836 176.5
[M+NH4]+ 303.27946 192.4
[M+K]+ 324.20880 172.8
[M+H-H2O]+ 268.24290 169.1
[M+HCOO]- 330.24384 192.0
[M+CH3COO]- 344.25949 207.0
[M+Na-2H]- 306.22031 171.8
[M]+ 285.24509 170.7
[M]- 285.24619 170.7
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