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]+ 180.10192 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

No literature data available for this compound.

Patent stripe

patents stripe