CID 2773458

(1h-indol-5-yl)methanol

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC2=C(C=CN2)C=C1CO
InChI
InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
InChIKey
ZSHFWQNPJMUBQU-UHFFFAOYSA-N
Compound name
1H-indol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

252
Patents

147.06842 Da
Monoisotopic Mass

1.4
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