CID 130044190

(3-amino-2,3-dihydro-1h-inden-5-yl)methanol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC2=C(C1N)C=C(C=C2)CO
InChI
InChI=1S/C10H13NO/c11-10-4-3-8-2-1-7(6-12)5-9(8)10/h1-2,5,10,12H,3-4,6,11H2
InChIKey
GWXPVNKPNJIKTA-UHFFFAOYSA-N
Compound name
(3-amino-2,3-dihydro-1H-inden-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.4
[M+Na]+ 186.088938 141.4
[M-H]- 162.092444 136.4
[M+NH4]+ 181.133543 156.2
[M+K]+ 202.062878 137.9
[M+H-H2O]+ 146.096980 128.5
[M+HCOO]- 208.097921 156.0
[M+CH3COO]- 222.113571 177.9
[M+Na-2H]- 184.074386 138.5
[M]+ 163.09917142 130.5
[M]- 163.10026858 130.5
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.