CID 3042832

Chroman-3-yl-methylamine hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
CNC1CC2=CC=CC=C2OC1
InChI
InChI=1S/C10H13NO/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11H,6-7H2,1H3
InChIKey
HXWYLYMFMGGCFE-UHFFFAOYSA-N
Compound name
N-methyl-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.2
[M+Na]+ 186.08894 138.8
[M-H]- 162.09244 137.0
[M+NH4]+ 181.13354 152.4
[M+K]+ 202.06288 137.7
[M+H-H2O]+ 146.09698 126.2
[M+HCOO]- 208.09792 153.8
[M+CH3COO]- 222.11357 180.3
[M+Na-2H]- 184.07439 141.8
[M]+ 163.09917 130.1
[M]- 163.10027 130.1
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