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

3022
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 130.8
[M+Na]+ 154.12023 136.7
[M-H]- 130.12373 130.3
[M+NH4]+ 149.16483 152.5
[M+K]+ 170.09417 136.4
[M+H-H2O]+ 114.12827 125.7
[M+HCOO]- 176.12921 154.9
[M+CH3COO]- 190.14486 176.3
[M+Na-2H]- 152.10568 136.5
[M]+ 131.13046 132.1
[M]- 131.13156 132.1
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