CID 201201

3410-08-0

Structural Information

Molecular Formula
C9H16NO
SMILES
C[N+](C)(C)CCC1=CC=CO1
InChI
InChI=1S/C9H16NO/c1-10(2,3)7-6-9-5-4-8-11-9/h4-5,8H,6-7H2,1-3H3/q+1
InChIKey
LYCIZVUAMVBOPI-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12318 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.13046 131.1
[M+Na]+ 177.11240 138.4
[M-H]- 153.11590 137.0
[M+NH4]+ 172.15700 153.2
[M+K]+ 193.08634 133.8
[M+H-H2O]+ 137.12044 128.9
[M+HCOO]- 199.12138 156.2
[M+CH3COO]- 213.13703 174.8
[M+Na-2H]- 175.09785 142.1
[M]+ 154.12263 132.6
[M]- 154.12373 132.6
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

No patent data available for this compound.