CID 79748

N,n-diethylallylamine

Structural Information

Molecular Formula
C7H15N
SMILES
CCN(CC)CC=C
InChI
InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3
InChIKey
JWAJUTZQGZBKFS-UHFFFAOYSA-N
Compound name
N,N-diethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1714
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 125.7
[M+Na]+ 136.10967 132.1
[M-H]- 112.11317 127.4
[M+NH4]+ 131.15427 149.0
[M+K]+ 152.08361 132.6
[M+H-H2O]+ 96.117710 120.8
[M+HCOO]- 158.11865 150.9
[M+CH3COO]- 172.13430 177.7
[M+Na-2H]- 134.09512 131.9
[M]+ 113.11990 127.2
[M]- 113.12100 127.2
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