CID 80605

Tris(2-methylallyl)amine

Structural Information

Molecular Formula
C12H21N
SMILES
CC(=C)CN(CC(=C)C)CC(=C)C
InChI
InChI=1S/C12H21N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h1,3,5,7-9H2,2,4,6H3
InChIKey
FXBJYRVIFGLPBC-UHFFFAOYSA-N
Compound name
2-methyl-N,N-bis(2-methylprop-2-enyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

179.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 146.1
[M+Na]+ 202.15662 150.5
[M-H]- 178.16012 147.2
[M+NH4]+ 197.20122 166.5
[M+K]+ 218.13056 149.6
[M+H-H2O]+ 162.16466 140.7
[M+HCOO]- 224.16560 167.1
[M+CH3COO]- 238.18125 193.6
[M+Na-2H]- 200.14207 145.9
[M]+ 179.16685 146.1
[M]- 179.16795 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe