CID 77557

1,4-cyclohexanebis(methylamine), n,n'-bis(tert-butyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C16H34N2
SMILES
CC(C)(C)NCC1CCC(CC1)CNC(C)(C)C
InChI
InChI=1S/C16H34N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKey
MKPZYTUGMKKMPV-UHFFFAOYSA-N
Compound name
N-[[4-[(tert-butylamino)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.2722 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.27948 167.6
[M+Na]+ 277.26142 169.2
[M-H]- 253.26492 169.6
[M+NH4]+ 272.30602 184.5
[M+K]+ 293.23536 167.2
[M+H-H2O]+ 237.26946 161.6
[M+HCOO]- 299.27040 184.3
[M+CH3COO]- 313.28605 204.1
[M+Na-2H]- 275.24687 170.6
[M]+ 254.27165 163.5
[M]- 254.27275 163.5
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