CID 55163

83823-39-6

Structural Information

Molecular Formula
C14H20NO
SMILES
CC[N+](C)(CC)C1C=CC2=CC=CC=C2O1
InChI
InChI=1S/C14H20NO/c1-4-15(3,5-2)14-11-10-12-8-6-7-9-13(12)16-14/h6-11,14H,4-5H2,1-3H3/q+1
InChIKey
SXTNSNXYRCPHGI-UHFFFAOYSA-N
Compound name
2H-chromen-2-yl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1545 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16178 148.2
[M+Na]+ 241.14372 154.7
[M-H]- 217.14722 154.6
[M+NH4]+ 236.18832 167.0
[M+K]+ 257.11766 148.1
[M+H-H2O]+ 201.15176 144.6
[M+HCOO]- 263.15270 169.4
[M+CH3COO]- 277.16835 188.6
[M+Na-2H]- 239.12917 160.0
[M]+ 218.15395 148.6
[M]- 218.15505 148.6
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.