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

51
Patents

147.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.133206 134.1
[M+Na]+ 170.115148 139.6
[M-H]- 146.118654 132.1
[M+NH4]+ 165.159753 154.3
[M+K]+ 186.089088 138.6
[M+H-H2O]+ 130.123190 128.9
[M+HCOO]- 192.124131 156.9
[M+CH3COO]- 206.139781 175.7
[M+Na-2H]- 168.100596 139.2
[M]+ 147.12538142 134.9
[M]- 147.12647858 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