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

153
Patents

185.21436 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.221636 152.4
[M+Na]+ 208.203578 155.4
[M-H]- 184.207084 151.9
[M+NH4]+ 203.248183 172.0
[M+K]+ 224.177518 155.5
[M+H-H2O]+ 168.211620 146.9
[M+HCOO]- 230.212561 171.2
[M+CH3COO]- 244.228211 193.7
[M+Na-2H]- 206.189026 151.3
[M]+ 185.21381142 152.5
[M]- 185.21490858 152.5
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