CID 85461

3-butoxypropylamine

Structural Information

Molecular Formula
C7H17NO
SMILES
CCCCOCCCN
InChI
InChI=1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3
InChIKey
LPUBRQWGZPPVBS-UHFFFAOYSA-N
Compound name
3-butoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2859
Patents

131.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 129.2
[M+Na]+ 154.12023 138.6
[M+NH4]+ 149.16483 137.2
[M+K]+ 170.09417 132.5
[M-H]- 130.12373 129.4
[M+Na-2H]- 152.10568 133.0
[M]+ 131.13046 130.3
[M]- 131.13156 130.3
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