CID 7617

Triallylamine

Structural Information

Molecular Formula
C9H15N
SMILES
C=CCN(CC=C)CC=C
InChI
InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
InChIKey
VPYJNCGUESNPMV-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

32104
Patents

137.12045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 131.7
[M+Na]+ 160.10967 137.9
[M-H]- 136.11317 133.0
[M+NH4]+ 155.15427 153.9
[M+K]+ 176.08361 136.5
[M+H-H2O]+ 120.11771 126.6
[M+HCOO]- 182.11865 156.6
[M+CH3COO]- 196.13430 181.9
[M+Na-2H]- 158.09512 136.8
[M]+ 137.11990 132.5
[M]- 137.12100 132.5
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