CID 3069981

Indole, 1-(1-sec-butoxyethyl)-

Structural Information

Molecular Formula
C14H19NO
SMILES
CCC(C)OC(C)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C14H19NO/c1-4-11(2)16-12(3)15-10-9-13-7-5-6-8-14(13)15/h5-12H,4H2,1-3H3
InChIKey
UOHBCACBEBPKOG-UHFFFAOYSA-N
Compound name
1-(1-butan-2-yloxyethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.0
[M+Na]+ 240.135888 159.0
[M-H]- 216.139394 154.3
[M+NH4]+ 235.180493 171.3
[M+K]+ 256.109828 156.4
[M+H-H2O]+ 200.143930 144.2
[M+HCOO]- 262.144871 172.9
[M+CH3COO]- 276.160521 191.0
[M+Na-2H]- 238.121336 154.9
[M]+ 217.14612142 154.7
[M]- 217.14721858 154.7
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.