CID 278477

2-[(3-methylbutyl)amino]ethan-1-ol

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)CCNCCO
InChI
InChI=1S/C7H17NO/c1-7(2)3-4-8-5-6-9/h7-9H,3-6H2,1-2H3
InChIKey
VHQWELIDTIYJIJ-UHFFFAOYSA-N
Compound name
2-(3-methylbutylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
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 132.0
[M+Na]+ 154.120228 137.2
[M-H]- 130.123734 130.6
[M+NH4]+ 149.164833 153.1
[M+K]+ 170.094168 136.7
[M+H-H2O]+ 114.128270 127.1
[M+HCOO]- 176.129211 154.1
[M+CH3COO]- 190.144861 175.1
[M+Na-2H]- 152.105676 136.8
[M]+ 131.13046142 131.6
[M]- 131.13155858 131.6
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