CID 77362

3753-42-2

Structural Information

Molecular Formula
C22H42N2
SMILES
C1CCCC(CC1)NCC2CCC(CC2)CNC3CCCCCC3
InChI
InChI=1S/C22H42N2/c1-2-6-10-21(9-5-1)23-17-19-13-15-20(16-14-19)18-24-22-11-7-3-4-8-12-22/h19-24H,1-18H2
InChIKey
NBAOYBXOVNLGQU-UHFFFAOYSA-N
Compound name
N-[[4-[(cycloheptylamino)methyl]cyclohexyl]methyl]cycloheptanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.3348 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 188.9
[M+Na]+ 357.32402 184.9
[M-H]- 333.32752 195.8
[M+NH4]+ 352.36862 198.2
[M+K]+ 373.29796 185.0
[M+H-H2O]+ 317.33206 181.8
[M+HCOO]- 379.33300 199.3
[M+CH3COO]- 393.34865 192.9
[M+Na-2H]- 355.30947 185.5
[M]+ 334.33425 172.4
[M]- 334.33535 172.4
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

patents stripe