CID 20669

4-(butylamino)butan-1-ol

Structural Information

Molecular Formula
C8H19NO
SMILES
CCCCNCCCCO
InChI
InChI=1S/C8H19NO/c1-2-3-6-9-7-4-5-8-10/h9-10H,2-8H2,1H3
InChIKey
OPUJAKVDYGQVHP-UHFFFAOYSA-N
Compound name
4-(butylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

145.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 135.6
[M+Na]+ 168.135888 140.7
[M-H]- 144.139394 134.0
[M+NH4]+ 163.180493 156.2
[M+K]+ 184.109828 139.4
[M+H-H2O]+ 128.143930 130.5
[M+HCOO]- 190.144871 158.5
[M+CH3COO]- 204.160521 177.4
[M+Na-2H]- 166.121336 141.3
[M]+ 145.14612142 136.3
[M]- 145.14721858 136.3
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