CID 2773457

1h-indol-4-ylmethanol

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC(=C2C=CNC2=C1)CO
InChI
InChI=1S/C9H9NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-5,10-11H,6H2
InChIKey
BVSGXWCTWBZFEV-UHFFFAOYSA-N
Compound name
1H-indol-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

354
Patents

147.06842 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe