CID 237041

2893-48-3

Structural Information

Molecular Formula
C7H17NO
SMILES
CCCCN(C)CCO
InChI
InChI=1S/C7H17NO/c1-3-4-5-8(2)6-7-9/h9H,3-7H2,1-2H3
InChIKey
YSNMZQFDMNKNFQ-UHFFFAOYSA-N
Compound name
2-[butyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

131.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.3
[M+Na]+ 154.12023 137.0
[M-H]- 130.12373 131.4
[M+NH4]+ 149.16483 153.2
[M+K]+ 170.09417 137.4
[M+H-H2O]+ 114.12827 126.2
[M+HCOO]- 176.12921 155.0
[M+CH3COO]- 190.14486 177.8
[M+Na-2H]- 152.10568 136.7
[M]+ 131.13046 132.9
[M]- 131.13156 132.9
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