CID 2773459

1075-26-9

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC(=CC2=C1C=CN2)CO
InChI
InChI=1S/C9H9NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-5,10-11H,6H2
InChIKey
WRMZOPANDOHWJU-UHFFFAOYSA-N
Compound name
1H-indol-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

147.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.1
[M+Na]+ 170.057638 137.1
[M-H]- 146.061144 128.4
[M+NH4]+ 165.102243 149.0
[M+K]+ 186.031578 133.0
[M+H-H2O]+ 130.065680 121.7
[M+HCOO]- 192.066621 149.8
[M+CH3COO]- 206.082271 141.2
[M+Na-2H]- 168.043086 135.4
[M]+ 147.06787142 126.7
[M]- 147.06896858 126.7
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

patents stripe