CID 24399

1-butanaminium, n,n,n-trimethyl-, iodide (1:1)

Structural Information

Molecular Formula
C7H18N
SMILES
CCCC[N+](C)(C)C
InChI
InChI=1S/C7H18N/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3/q+1
InChIKey
IUNCEDRRUNZACO-UHFFFAOYSA-N
Compound name
butyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

5792
Patents

116.14392 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.15120 123.3
[M+Na]+ 139.13314 130.3
[M-H]- 115.13664 125.5
[M+NH4]+ 134.17774 146.9
[M+K]+ 155.10708 125.6
[M+H-H2O]+ 99.141180 122.2
[M+HCOO]- 161.14212 147.4
[M+CH3COO]- 175.15777 171.8
[M+Na-2H]- 137.11859 133.8
[M]+ 116.14337 124.0
[M]- 116.14447 124.0
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