CID 58775880

[3-(1,3-dioxolan-2-yl)phenyl]methanamine

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1COC(O1)C2=CC=CC(=C2)CN
InChI
InChI=1S/C10H13NO2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6,10H,4-5,7,11H2
InChIKey
KSVPEHPFVBQFLA-UHFFFAOYSA-N
Compound name
[3-(1,3-dioxolan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 137.7
[M+Na]+ 202.083858 144.1
[M-H]- 178.087364 145.0
[M+NH4]+ 197.128463 156.2
[M+K]+ 218.057798 144.2
[M+H-H2O]+ 162.091900 131.6
[M+HCOO]- 224.092841 160.3
[M+CH3COO]- 238.108491 180.1
[M+Na-2H]- 200.069306 143.8
[M]+ 179.09409142 136.1
[M]- 179.09518858 136.1
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