CID 4206872

405277-41-0

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1(C(OC(O1)C2=CC=C(C=C2)N)(C)C)C
InChI
InChI=1S/C13H19NO2/c1-12(2)13(3,4)16-11(15-12)9-5-7-10(14)8-6-9/h5-8,11H,14H2,1-4H3
InChIKey
VGSFQOQXAQWYKT-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 147.4
[M+Na]+ 244.13081 156.4
[M-H]- 220.13431 155.8
[M+NH4]+ 239.17541 168.9
[M+K]+ 260.10475 156.3
[M+H-H2O]+ 204.13885 142.9
[M+HCOO]- 266.13979 169.0
[M+CH3COO]- 280.15544 190.8
[M+Na-2H]- 242.11626 153.3
[M]+ 221.14104 148.5
[M]- 221.14214 148.5
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.