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]+ 156.138286 134.0
[M+Na]+ 178.120228 138.8
[M-H]- 154.123734 137.6
[M+NH4]+ 173.164833 155.9
[M+K]+ 194.094168 138.0
[M+H-H2O]+ 138.128270 128.7
[M+HCOO]- 200.129211 153.1
[M+CH3COO]- 214.144861 177.4
[M+Na-2H]- 176.105676 138.5
[M]+ 155.13046142 128.3
[M]- 155.13155858 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.