CID 209070

(3,4-dihydro-1h-isochromen-1-ylmethyl)amine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1COC(C2=CC=CC=C21)CN
InChI
InChI=1S/C10H13NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2
InChIKey
ILJDAFPFCCVDKU-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

124
Patents

163.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.8
[M+Na]+ 186.08894 139.4
[M-H]- 162.09244 137.2
[M+NH4]+ 181.13354 152.8
[M+K]+ 202.06288 137.9
[M+H-H2O]+ 146.09698 126.8
[M+HCOO]- 208.09792 153.9
[M+CH3COO]- 222.11357 179.7
[M+Na-2H]- 184.07439 141.3
[M]+ 163.09917 129.8
[M]- 163.10027 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

literature stripe

Patent stripe

patents stripe