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]+ 256.033156 152.0
[M+Na]+ 278.015098 161.9
[M-H]- 254.018604 161.0
[M+NH4]+ 273.059703 174.2
[M+K]+ 293.989038 151.8
[M+H-H2O]+ 238.023140 152.1
[M+HCOO]- 300.024081 172.5
[M+CH3COO]- 314.039731 190.4
[M+Na-2H]- 276.000546 158.4
[M]+ 255.02533142 167.8
[M]- 255.02642858 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.