CID 115402

63939-00-4

Structural Information

Molecular Formula
C11H26NO
SMILES
CCCCOC(CC)C[N+](C)(C)C
InChI
InChI=1S/C11H26NO/c1-6-8-9-13-11(7-2)10-12(3,4)5/h11H,6-10H2,1-5H3/q+1
InChIKey
HOCDEKJNXLIUPS-UHFFFAOYSA-N
Compound name
2-butoxybutyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.20145 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.20873 145.9
[M+Na]+ 211.19067 151.0
[M-H]- 187.19417 147.4
[M+NH4]+ 206.23527 166.5
[M+K]+ 227.16461 146.1
[M+H-H2O]+ 171.19871 143.8
[M+HCOO]- 233.19965 168.0
[M+CH3COO]- 247.21530 186.5
[M+Na-2H]- 209.17612 153.0
[M]+ 188.20090 148.9
[M]- 188.20200 148.9
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

No patent data available for this compound.