CID 139033209

Yhb7yws4wj

Structural Information

Molecular Formula
C13H17NO
SMILES
CCC(CC1=CC2=C(C=C1)OC=C2)NC
InChI
InChI=1S/C13H17NO/c1-3-12(14-2)9-10-4-5-13-11(8-10)6-7-15-13/h4-8,12,14H,3,9H2,1-2H3
InChIKey
CTEZPBCLIKEASW-UHFFFAOYSA-N
Compound name
1-(1-benzofuran-5-yl)-N-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

203.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 145.8
[M+Na]+ 226.120228 153.8
[M-H]- 202.123734 151.2
[M+NH4]+ 221.164833 166.5
[M+K]+ 242.094168 151.9
[M+H-H2O]+ 186.128270 139.8
[M+HCOO]- 248.129211 170.5
[M+CH3COO]- 262.144861 189.3
[M+Na-2H]- 224.105676 152.7
[M]+ 203.13046142 149.2
[M]- 203.13155858 149.2
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