CID 98783

(1h-indol-2-yl)methanol

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC=C2C(=C1)C=C(N2)CO
InChI
InChI=1S/C9H9NO/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-5,10-11H,6H2
InChIKey
XEEANGGQJOWRTG-UHFFFAOYSA-N
Compound name
1H-indol-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

715
Patents

147.06842 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe