CID 192599

152623-93-3

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(CC1=CC2=C(CCO2)C=C1)N
InChI
InChI=1S/C11H15NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-3,7-8H,4-6,12H2,1H3
InChIKey
VRNGXHJGMCJRSQ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

60
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.2
[M+Na]+ 200.104588 146.0
[M-H]- 176.108094 143.7
[M+NH4]+ 195.149193 160.5
[M+K]+ 216.078528 144.6
[M+H-H2O]+ 160.112630 133.7
[M+HCOO]- 222.113571 161.0
[M+CH3COO]- 236.129221 183.2
[M+Na-2H]- 198.090036 144.3
[M]+ 177.11482142 138.0
[M]- 177.11591858 138.0
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