CID 17750403

1159599-95-7

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(C2=CC=CC=C2CO1)N
InChI
InChI=1S/C9H11NO/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
InChIKey
BDYWBOBBXXDXHU-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

149.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.1
[M+Na]+ 172.07328 135.2
[M-H]- 148.07678 132.7
[M+NH4]+ 167.11788 148.6
[M+K]+ 188.04722 133.9
[M+H-H2O]+ 132.08132 122.3
[M+HCOO]- 194.08226 149.5
[M+CH3COO]- 208.09791 141.8
[M+Na-2H]- 170.05873 137.2
[M]+ 149.08351 124.7
[M]- 149.08461 124.7
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