CID 6478445

N-(-)-cis-myrtanyl-n'-(cyclooctyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C20H38N2
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNC3CCCCCCC3)C
InChI
InChI=1S/C20H38N2/c1-20(2)17-11-10-16(19(20)14-17)15-21-12-13-22-18-8-6-4-3-5-7-9-18/h16-19,21-22H,3-15H2,1-2H3/t16-,17-,19-/m0/s1
InChIKey
UATASIWOFHZVBY-LNLFQRSKSA-N
Compound name
N'-cyclooctyl-N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

306.3035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 176.3
[M+Na]+ 329.29272 177.1
[M-H]- 305.29622 176.2
[M+NH4]+ 324.33732 182.4
[M+K]+ 345.26666 177.5
[M+H-H2O]+ 289.30076 169.9
[M+HCOO]- 351.30170 179.9
[M+CH3COO]- 365.31735 177.9
[M+Na-2H]- 327.27817 175.3
[M]+ 306.30295 177.8
[M]- 306.30405 177.8
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