CID 52552

Nsc 81241

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=N)CCO
InChI
InChI=1S/C11H12N2O/c12-10(5-6-14)9-7-13-11-4-2-1-3-8(9)11/h1-4,7,12-14H,5-6H2
InChIKey
BJRHJHLZJHRDAP-UHFFFAOYSA-N
Compound name
3-imino-3-(1H-indol-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 140.1
[M+Na]+ 211.08418 151.5
[M+NH4]+ 206.12878 148.1
[M+K]+ 227.05812 147.2
[M-H]- 187.08768 141.3
[M+Na-2H]- 209.06963 145.7
[M]+ 188.09441 141.8
[M]- 188.09551 141.8
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

No patent data available for this compound.