CID 43512039

1153404-46-6

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC1=CC(=CC2=C1OCCC2NC)Cl
InChI
InChI=1S/C11H14ClNO/c1-7-5-8(12)6-9-10(13-2)3-4-14-11(7)9/h5-6,10,13H,3-4H2,1-2H3
InChIKey
CMGKEKXMWWBAQL-UHFFFAOYSA-N
Compound name
6-chloro-N,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 144.7
[M+Na]+ 234.06561 153.5
[M-H]- 210.06911 149.9
[M+NH4]+ 229.11021 164.5
[M+K]+ 250.03955 150.3
[M+H-H2O]+ 194.07365 139.7
[M+HCOO]- 256.07459 161.4
[M+CH3COO]- 270.09024 189.5
[M+Na-2H]- 232.05106 151.6
[M]+ 211.07584 145.9
[M]- 211.07694 145.9
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.