CID 546882

4-ethylamino-1-butanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCNCCCCO
InChI
InChI=1S/C6H15NO/c1-2-7-5-3-4-6-8/h7-8H,2-6H2,1H3
InChIKey
PVNNOLUAMRODAC-UHFFFAOYSA-N
Compound name
4-(ethylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1072
Patents

117.115364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.5
[M+Na]+ 140.10458 132.4
[M-H]- 116.10809 125.3
[M+NH4]+ 135.14919 148.3
[M+K]+ 156.07852 131.7
[M+H-H2O]+ 100.11262 121.8
[M+HCOO]- 162.11356 150.0
[M+CH3COO]- 176.12922 171.3
[M+Na-2H]- 138.09003 133.3
[M]+ 117.11482 126.5
[M]- 117.11591 126.5
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