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]+ 218.15395 151.0
[M+Na]+ 240.13589 159.0
[M-H]- 216.13939 154.3
[M+NH4]+ 235.18049 171.3
[M+K]+ 256.10983 156.4
[M+H-H2O]+ 200.14393 144.2
[M+HCOO]- 262.14487 172.9
[M+CH3COO]- 276.16052 191.0
[M+Na-2H]- 238.12134 154.9
[M]+ 217.14612 154.7
[M]- 217.14722 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.