CID 421184

Isochroman-1-ylmethyl-methyl-amine

Structural Information

Molecular Formula
C11H15NO
SMILES
CNCC1C2=CC=CC=C2CCO1
InChI
InChI=1S/C11H15NO/c1-12-8-11-10-5-3-2-4-9(10)6-7-13-11/h2-5,11-12H,6-8H2,1H3
InChIKey
QRTWLBGCEOIIBF-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

177.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.9
[M+Na]+ 200.10459 150.8
[M+NH4]+ 195.14919 148.0
[M+K]+ 216.07853 143.4
[M-H]- 176.10809 143.3
[M+Na-2H]- 198.09004 144.5
[M]+ 177.11482 141.3
[M]- 177.11592 141.3
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