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]+ 138.091336 123.2
[M+Na]+ 160.073278 133.1
[M-H]- 136.076784 131.5
[M+NH4]+ 155.117883 140.3
[M+K]+ 176.047218 131.5
[M+H-H2O]+ 120.081320 117.4
[M+HCOO]- 182.082261 148.7
[M+CH3COO]- 196.097911 177.7
[M+Na-2H]- 158.058726 130.1
[M]+ 137.08351142 125.5
[M]- 137.08460858 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.