CID 31279

Diallylamine

Structural Information

Molecular Formula
C6H11N
SMILES
C=CCNCC=C
InChI
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKey
DYUWTXWIYMHBQS-UHFFFAOYSA-N
Compound name
N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

57945
Patents

97.08915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.7
[M+Na]+ 120.07837 126.6
[M-H]- 96.081874 120.0
[M+NH4]+ 115.12297 142.9
[M+K]+ 136.05231 125.3
[M+H-H2O]+ 80.086410 115.3
[M+HCOO]- 142.08735 144.9
[M+CH3COO]- 156.10300 170.1
[M+Na-2H]- 118.06382 127.2
[M]+ 97.088601 118.8
[M]- 97.089699 118.8
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