CID 22392033

(indolin-3-yl)methanol

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(C2=CC=CC=C2N1)CO
InChI
InChI=1S/C9H11NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-4,7,10-11H,5-6H2
InChIKey
LJVFBUDYUADYER-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

149.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.2
[M+Na]+ 172.07328 138.1
[M-H]- 148.07678 130.7
[M+NH4]+ 167.11788 151.8
[M+K]+ 188.04722 134.4
[M+H-H2O]+ 132.08132 124.7
[M+HCOO]- 194.08226 150.0
[M+CH3COO]- 208.09791 143.2
[M+Na-2H]- 170.05873 136.5
[M]+ 149.08351 126.8
[M]- 149.08461 126.8
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

patents stripe