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

276
Patents

147.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 127.1
[M+Na]+ 170.05764 137.1
[M-H]- 146.06114 128.4
[M+NH4]+ 165.10224 149.0
[M+K]+ 186.03158 133.0
[M+H-H2O]+ 130.06568 121.7
[M+HCOO]- 192.06662 149.8
[M+CH3COO]- 206.08227 141.2
[M+Na-2H]- 168.04309 135.4
[M]+ 147.06787 126.7
[M]- 147.06897 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