CID 11790250

Tributylamine n-oxide

Structural Information

Molecular Formula
C12H27NO
SMILES
CCCC[N+](CCCC)(CCCC)[O-]
InChI
InChI=1S/C12H27NO/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey
QDTCBEZXBDUOCR-UHFFFAOYSA-N
Compound name
N,N-dibutylbutan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

201.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.216536 152.9
[M+Na]+ 224.198478 157.6
[M-H]- 200.201984 152.5
[M+NH4]+ 219.243083 172.3
[M+K]+ 240.172418 151.9
[M+H-H2O]+ 184.206520 152.9
[M+HCOO]- 246.207461 175.1
[M+CH3COO]- 260.223111 185.9
[M+Na-2H]- 222.183926 159.6
[M]+ 201.20871142 154.7
[M]- 201.20980858 154.7
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