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

5
Patents

254.2722 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.279476 167.6
[M+Na]+ 277.261418 169.2
[M-H]- 253.264924 169.6
[M+NH4]+ 272.306023 184.5
[M+K]+ 293.235358 167.2
[M+H-H2O]+ 237.269460 161.6
[M+HCOO]- 299.270401 184.3
[M+CH3COO]- 313.286051 204.1
[M+Na-2H]- 275.246866 170.6
[M]+ 254.27165142 163.5
[M]- 254.27274858 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