CID 20850

4730-16-9

Structural Information

Molecular Formula
C11H21N
SMILES
CC(CCC=C(C)C)NCC=C
InChI
InChI=1S/C11H21N/c1-5-9-12-11(4)8-6-7-10(2)3/h5,7,11-12H,1,6,8-9H2,2-4H3
InChIKey
DZDMCNWRZMNEGT-UHFFFAOYSA-N
Compound name
6-methyl-N-prop-2-enylhept-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 144.2
[M+Na]+ 190.15662 148.7
[M-H]- 166.16012 143.8
[M+NH4]+ 185.20122 164.6
[M+K]+ 206.13056 146.9
[M+H-H2O]+ 150.16466 138.9
[M+HCOO]- 212.16560 165.8
[M+CH3COO]- 226.18125 186.3
[M+Na-2H]- 188.14207 146.3
[M]+ 167.16685 143.7
[M]- 167.16795 143.7
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

No patent data available for this compound.