CID 43149664

2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1=C(OC2=CC=CC=C12)C(C(C)C)N
InChI
InChI=1S/C13H17NO/c1-8(2)12(14)13-9(3)10-6-4-5-7-11(10)15-13/h4-8,12H,14H2,1-3H3
InChIKey
HVLPOBQRKWXUAB-UHFFFAOYSA-N
Compound name
2-methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.9
[M+Na]+ 226.120228 155.6
[M-H]- 202.123734 152.4
[M+NH4]+ 221.164833 167.6
[M+K]+ 242.094168 153.8
[M+H-H2O]+ 186.128270 141.4
[M+HCOO]- 248.129211 169.9
[M+CH3COO]- 262.144861 190.7
[M+Na-2H]- 224.105676 150.9
[M]+ 203.13046142 149.1
[M]- 203.13155858 149.1
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

patents stripe