CID 71695280

2-(1h-indol-5-yl)propan-2-ol

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)(C1=CC2=C(C=C1)NC=C2)O
InChI
InChI=1S/C11H13NO/c1-11(2,13)9-3-4-10-8(7-9)5-6-12-10/h3-7,12-13H,1-2H3
InChIKey
GOCLWNVWWADZNI-UHFFFAOYSA-N
Compound name
2-(1H-indol-5-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.8
[M+Na]+ 198.08894 147.3
[M-H]- 174.09244 139.0
[M+NH4]+ 193.13354 158.7
[M+K]+ 214.06288 143.1
[M+H-H2O]+ 158.09698 132.7
[M+HCOO]- 220.09792 158.1
[M+CH3COO]- 234.11357 175.4
[M+Na-2H]- 196.07439 145.6
[M]+ 175.09917 137.6
[M]- 175.10027 137.6
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

No patent data available for this compound.