CID 138008249

2243503-10-6

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC[C@@H]2[C@@H](C1)CC(O2)CN
InChI
InChI=1S/C9H17NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h7-9H,1-6,10H2/t7-,8?,9+/m0/s1
InChIKey
VFONSNQWJVXRFM-UBGVJBJISA-N
Compound name
[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.0
[M+Na]+ 178.12023 138.8
[M-H]- 154.12373 137.6
[M+NH4]+ 173.16483 155.9
[M+K]+ 194.09417 138.0
[M+H-H2O]+ 138.12827 128.7
[M+HCOO]- 200.12921 153.1
[M+CH3COO]- 214.14486 177.4
[M+Na-2H]- 176.10568 138.5
[M]+ 155.13046 128.3
[M]- 155.13156 128.3
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.