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

487
Patents

145.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.15395 134.0
[M+Na]+ 168.13589 142.9
[M+NH4]+ 163.18049 141.7
[M+K]+ 184.10983 136.7
[M-H]- 144.13939 133.8
[M+Na-2H]- 166.12134 137.3
[M]+ 145.14612 134.9
[M]- 145.14722 134.9
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