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

50
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 134.1
[M+Na]+ 170.11515 139.6
[M-H]- 146.11865 132.1
[M+NH4]+ 165.15975 154.3
[M+K]+ 186.08909 138.6
[M+H-H2O]+ 130.12319 128.9
[M+HCOO]- 192.12413 156.9
[M+CH3COO]- 206.13978 175.7
[M+Na-2H]- 168.10060 139.2
[M]+ 147.12538 134.9
[M]- 147.12648 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

No literature data available for this compound.

Patent stripe

patents stripe