CID 54504755

1,3,3-trimethyl-n-(2-methylpropyl)-5-[(2-methylpropyl)amino]cyclohexanemethanamine

Structural Information

Molecular Formula
C18H38N2
SMILES
CC(C)CNCC1(CC(CC(C1)(C)C)NCC(C)C)C
InChI
InChI=1S/C18H38N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h14-16,19-20H,8-13H2,1-7H3
InChIKey
YEXCJWBABSEWTQ-UHFFFAOYSA-N
Compound name
3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

282.3035 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.31078 173.3
[M+Na]+ 305.29272 175.4
[M-H]- 281.29622 175.4
[M+NH4]+ 300.33732 192.9
[M+K]+ 321.26666 173.7
[M+H-H2O]+ 265.30076 168.4
[M+HCOO]- 327.30170 190.4
[M+CH3COO]- 341.31735 212.7
[M+Na-2H]- 303.27817 173.1
[M]+ 282.30295 170.8
[M]- 282.30405 170.8
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