CID 52113364

1374509-46-2

Structural Information

Molecular Formula
C8H11NO
SMILES
C1[C@H]([C@@H]1C2=CC=CO2)CN
InChI
InChI=1S/C8H11NO/c9-5-6-4-7(6)8-2-1-3-10-8/h1-3,6-7H,4-5,9H2/t6-,7+/m0/s1
InChIKey
BLCMHHXNGQBHQM-NKWVEPMBSA-N
Compound name
[(1R,2R)-2-(furan-2-yl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 123.2
[M+Na]+ 160.07328 133.1
[M-H]- 136.07678 131.5
[M+NH4]+ 155.11788 140.3
[M+K]+ 176.04722 131.5
[M+H-H2O]+ 120.08132 117.4
[M+HCOO]- 182.08226 148.7
[M+CH3COO]- 196.09791 177.7
[M+Na-2H]- 158.05873 130.1
[M]+ 137.08351 125.5
[M]- 137.08461 125.5
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.