CID 11171478

4-(1h-indol-3-yl)butan-1-ol

Structural Information

Molecular Formula
C12H15NO
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCCO
InChI
InChI=1S/C12H15NO/c14-8-4-3-5-10-9-13-12-7-2-1-6-11(10)12/h1-2,6-7,9,13-14H,3-5,8H2
InChIKey
IGLKHWVIJCQODS-UHFFFAOYSA-N
Compound name
4-(1H-indol-3-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

189.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.1
[M+Na]+ 212.10459 149.8
[M-H]- 188.10809 141.8
[M+NH4]+ 207.14919 161.3
[M+K]+ 228.07853 144.9
[M+H-H2O]+ 172.11263 135.1
[M+HCOO]- 234.11357 162.8
[M+CH3COO]- 248.12922 178.1
[M+Na-2H]- 210.09004 147.8
[M]+ 189.11482 141.7
[M]- 189.11592 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe