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]+ 168.174676 144.2
[M+Na]+ 190.156618 148.7
[M-H]- 166.160124 143.8
[M+NH4]+ 185.201223 164.6
[M+K]+ 206.130558 146.9
[M+H-H2O]+ 150.164660 138.9
[M+HCOO]- 212.165601 165.8
[M+CH3COO]- 226.181251 186.3
[M+Na-2H]- 188.142066 146.3
[M]+ 167.16685142 143.7
[M]- 167.16794858 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.