CID 296374

2-(2-methylbutylamino)-ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 132.0
[M+Na]+ 154.12023 137.2
[M-H]- 130.12373 130.6
[M+NH4]+ 149.16483 153.1
[M+K]+ 170.09417 136.7
[M+H-H2O]+ 114.12827 127.1
[M+HCOO]- 176.12921 154.1
[M+CH3COO]- 190.14486 175.1
[M+Na-2H]- 152.10568 136.8
[M]+ 131.13046 131.6
[M]- 131.13156 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

No literature data available for this compound.

Patent stripe

patents stripe