CID 10559254

104566-44-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

179.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.7
[M+Na]+ 202.08386 144.1
[M-H]- 178.08736 145.0
[M+NH4]+ 197.12846 156.2
[M+K]+ 218.05780 144.2
[M+H-H2O]+ 162.09190 131.6
[M+HCOO]- 224.09284 160.3
[M+CH3COO]- 238.10849 180.1
[M+Na-2H]- 200.06931 143.8
[M]+ 179.09409 136.1
[M]- 179.09519 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

literature stripe

Patent stripe

patents stripe