CID 56995

Dtxsid70914726

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]+ 192.138286 142.9
[M+Na]+ 214.120228 150.6
[M-H]- 190.123734 149.5
[M+NH4]+ 209.164833 164.9
[M+K]+ 230.094168 150.2
[M+H-H2O]+ 174.128270 137.2
[M+HCOO]- 236.129211 166.5
[M+CH3COO]- 250.144861 190.6
[M+Na-2H]- 212.105676 148.3
[M]+ 191.13046142 145.3
[M]- 191.13155858 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.