CID 44524

N,n-dimethyl-2-furanbutylamine hydrochloride

Structural Information

Molecular Formula
C10H17NO
SMILES
CN(C)CCCCC1=CC=CO1
InChI
InChI=1S/C10H17NO/c1-11(2)8-4-3-6-10-7-5-9-12-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKey
NSJSKFFZWZUPNJ-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

167.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 139.2
[M+Na]+ 190.12023 145.3
[M-H]- 166.12373 144.4
[M+NH4]+ 185.16483 160.6
[M+K]+ 206.09417 146.1
[M+H-H2O]+ 150.12827 133.0
[M+HCOO]- 212.12921 164.9
[M+CH3COO]- 226.14486 184.8
[M+Na-2H]- 188.10568 144.9
[M]+ 167.13046 142.6
[M]- 167.13156 142.6
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