CID 14615521

1312296-85-7

Structural Information

Molecular Formula
C12H26N
SMILES
CCC[N+](CCC)(CCC)CC=C
InChI
InChI=1S/C12H26N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5H,1,6-12H2,2-4H3/q+1
InChIKey
BUWDPPUOSGERNF-UHFFFAOYSA-N
Compound name
prop-2-enyl(tripropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

184.20653 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.21381 145.6
[M+Na]+ 207.19575 150.8
[M-H]- 183.19925 146.9
[M+NH4]+ 202.24035 166.3
[M+K]+ 223.16969 144.1
[M+H-H2O]+ 167.20379 143.5
[M+HCOO]- 229.20473 168.3
[M+CH3COO]- 243.22038 186.0
[M+Na-2H]- 205.18120 153.4
[M]+ 184.20598 147.5
[M]- 184.20708 147.5
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

patents stripe