CID 82596473

933752-20-6

Structural Information

Molecular Formula
C10H13NO
SMILES
C1COCC2=C1C=C(C=C2)CN
InChI
InChI=1S/C10H13NO/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5H,3-4,6-7,11H2
InChIKey
VGNFRQAGLYVIEA-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 132.8
[M+Na]+ 186.088938 139.4
[M-H]- 162.092444 137.2
[M+NH4]+ 181.133543 152.8
[M+K]+ 202.062878 137.9
[M+H-H2O]+ 146.096980 126.8
[M+HCOO]- 208.097921 153.9
[M+CH3COO]- 222.113571 179.7
[M+Na-2H]- 184.074386 141.3
[M]+ 163.09917142 129.8
[M]- 163.10026858 129.8
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.