CID 96012

1,1',3,3'-tetramethyldibutylamine

Structural Information

Molecular Formula
C12H27N
SMILES
CC(C)CC(C)NC(C)CC(C)C
InChI
InChI=1S/C12H27N/c1-9(2)7-11(5)13-12(6)8-10(3)4/h9-13H,7-8H2,1-6H3
InChIKey
WNOMKCAADBZQOV-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-methylpentan-2-yl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

185.21436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.22164 150.4
[M+Na]+ 208.20358 158.1
[M+NH4]+ 203.24818 157.8
[M+K]+ 224.17752 153.3
[M-H]- 184.20708 150.3
[M+Na-2H]- 206.18903 152.2
[M]+ 185.21381 151.2
[M]- 185.21491 151.2
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