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]+ 142.122646 129.4
[M+Na]+ 164.104588 134.7
[M-H]- 140.108094 133.1
[M+NH4]+ 159.149193 153.6
[M+K]+ 180.078528 134.2
[M+H-H2O]+ 124.112630 124.7
[M+HCOO]- 186.113571 148.8
[M+CH3COO]- 200.129221 172.8
[M+Na-2H]- 162.090036 136.1
[M]+ 141.11482142 123.3
[M]- 141.11591858 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.