CID 13797168

4-(3-aminopropoxy)-1-butanol

Structural Information

Molecular Formula
C7H17NO2
SMILES
C(CCOCCCN)CO
InChI
InChI=1S/C7H17NO2/c8-4-3-7-10-6-2-1-5-9/h9H,1-8H2
InChIKey
PJLOHVAAPSXEQI-UHFFFAOYSA-N
Compound name
4-(3-aminopropoxy)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

147.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.13321 132.6
[M+Na]+ 170.11515 140.9
[M+NH4]+ 165.15975 139.6
[M+K]+ 186.08909 135.7
[M-H]- 146.11865 131.7
[M+Na-2H]- 168.10060 135.2
[M]+ 147.12538 133.1
[M]- 147.12648 133.1
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