CID 102194

1,4-cyclohexanebis(methylamine), n,n'-bis(1-cyclohexenylmethyl)-, diacetate, (e)-

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CCC(=CC1)CNCC2CCC(CC2)CNCC3=CCCCC3
InChI
InChI=1S/C22H38N2/c1-3-7-19(8-4-1)15-23-17-21-11-13-22(14-12-21)18-24-16-20-9-5-2-6-10-20/h7,9,21-24H,1-6,8,10-18H2
InChIKey
VZRTWHQTXNZUAC-UHFFFAOYSA-N
Compound name
N-(cyclohexen-1-ylmethyl)-1-[4-[(cyclohexen-1-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.3035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 189.3
[M+Na]+ 353.29272 197.9
[M+NH4]+ 348.33732 198.3
[M+K]+ 369.26666 188.1
[M-H]- 329.29622 197.0
[M+Na-2H]- 351.27817 195.7
[M]+ 330.30295 192.4
[M]- 330.30405 192.4
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