CID 77115

3569-21-9

Structural Information

Molecular Formula
C11H13NO
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCO
InChI
InChI=1S/C11H13NO/c13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12-13H,3-4,7H2
InChIKey
LYPSVQXMCZIRGP-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

390
Patents

175.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.5
[M+Na]+ 198.088938 145.6
[M-H]- 174.092444 137.4
[M+NH4]+ 193.133543 157.2
[M+K]+ 214.062878 140.9
[M+H-H2O]+ 158.096980 130.7
[M+HCOO]- 220.097921 158.5
[M+CH3COO]- 234.113571 175.1
[M+Na-2H]- 196.074386 143.7
[M]+ 175.09917142 136.7
[M]- 175.10026858 136.7
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