CID 25997

13440-17-0

Structural Information

Molecular Formula
C13H32N2
SMILES
CC[N+](C)(C)CCCCC[N+](C)(C)CC
InChI
InChI=1S/C13H32N2/c1-7-14(3,4)12-10-9-11-13-15(5,6)8-2/h7-13H2,1-6H3/q+2
InChIKey
KSCCPBUESDBALW-UHFFFAOYSA-N
Compound name
ethyl-[5-[ethyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.25655 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.26383 150.2
[M+Na]+ 239.24577 154.7
[M-H]- 215.24927 153.2
[M+NH4]+ 234.29037 170.0
[M+K]+ 255.21971 144.2
[M+H-H2O]+ 199.25381 150.8
[M+HCOO]- 261.25475 172.6
[M+CH3COO]- 275.27040 192.4
[M+Na-2H]- 237.23122 161.6
[M]+ 216.25600 152.0
[M]- 216.25710 152.0
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