CID 2735367

2,3-dihydro-1-benzofuran-5-ylmethanamine

Structural Information

Molecular Formula
C9H11NO
SMILES
C1COC2=C1C=C(C=C2)CN
InChI
InChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2
InChIKey
WQXWNTPLZFVZNX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

149.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.6
[M+Na]+ 172.073278 136.6
[M-H]- 148.076784 133.4
[M+NH4]+ 167.117883 151.0
[M+K]+ 188.047218 135.2
[M+H-H2O]+ 132.081320 123.4
[M+HCOO]- 194.082261 152.1
[M+CH3COO]- 208.097911 176.2
[M+Na-2H]- 170.058726 136.1
[M]+ 149.08351142 127.3
[M]- 149.08460858 127.3
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