CID 56995

95965-62-1

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1C2=CC=CC=C2C(O1)CN(C)C
InChI
InChI=1S/C12H17NO/c1-9-10-6-4-5-7-11(10)12(14-9)8-13(2)3/h4-7,9,12H,8H2,1-3H3
InChIKey
AYUITXXCWNDFJE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3-methyl-1,3-dihydro-2-benzofuran-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.2
[M+Na]+ 214.12023 154.3
[M+NH4]+ 209.16483 152.0
[M+K]+ 230.09417 149.6
[M-H]- 190.12373 147.1
[M+Na-2H]- 212.10568 147.5
[M]+ 191.13046 145.3
[M]- 191.13156 145.3
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.