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

368
Patents

131.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 131.3
[M+Na]+ 154.120228 137.0
[M-H]- 130.123734 131.4
[M+NH4]+ 149.164833 153.2
[M+K]+ 170.094168 137.4
[M+H-H2O]+ 114.128270 126.2
[M+HCOO]- 176.129211 155.0
[M+CH3COO]- 190.144861 177.8
[M+Na-2H]- 152.105676 136.7
[M]+ 131.13046142 132.9
[M]- 131.13155858 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