CID 596021

31010-94-3

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1(CC2=C(O1)C=CC(=C2)N)C
InChI
InChI=1S/C10H13NO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6,11H2,1-2H3
InChIKey
LWDIQKVNWBXIMP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

163.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.7
[M+Na]+ 186.08894 142.2
[M-H]- 162.09244 138.1
[M+NH4]+ 181.13354 157.0
[M+K]+ 202.06288 140.7
[M+H-H2O]+ 146.09698 128.2
[M+HCOO]- 208.09792 155.9
[M+CH3COO]- 222.11357 179.9
[M+Na-2H]- 184.07439 140.1
[M]+ 163.09917 132.5
[M]- 163.10027 132.5
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