CID 132372771

Octahydro-1-benzofuran-3a-amine hydrochloride

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CCC2(CCOC2C1)N
InChI
InChI=1S/C8H15NO/c9-8-4-2-1-3-7(8)10-6-5-8/h7H,1-6,9H2
InChIKey
VSAMTOREUSCWJH-UHFFFAOYSA-N
Compound name
3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 129.4
[M+Na]+ 164.10459 134.7
[M-H]- 140.10809 133.1
[M+NH4]+ 159.14919 153.6
[M+K]+ 180.07853 134.2
[M+H-H2O]+ 124.11263 124.7
[M+HCOO]- 186.11357 148.8
[M+CH3COO]- 200.12922 172.8
[M+Na-2H]- 162.09004 136.1
[M]+ 141.11482 123.3
[M]- 141.11592 123.3
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.