CID 65020112

2344678-03-9

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1COCC1(CC2=CC(=CC=C2)Br)N
InChI
InChI=1S/C11H14BrNO/c12-10-3-1-2-9(6-10)7-11(13)4-5-14-8-11/h1-3,6H,4-5,7-8,13H2
InChIKey
SNMQGGVCRLRSSX-UHFFFAOYSA-N
Compound name
3-[(3-bromophenyl)methyl]oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 152.0
[M+Na]+ 278.01510 161.9
[M-H]- 254.01860 161.0
[M+NH4]+ 273.05970 174.2
[M+K]+ 293.98904 151.8
[M+H-H2O]+ 238.02314 152.1
[M+HCOO]- 300.02408 172.5
[M+CH3COO]- 314.03973 190.4
[M+Na-2H]- 276.00055 158.4
[M]+ 255.02533 167.8
[M]- 255.02643 167.8
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.