CID 4777647

175915-12-5

Structural Information

Molecular Formula
C8H13NO
SMILES
CCNCC1=CC=C(O1)C
InChI
InChI=1S/C8H13NO/c1-3-9-6-8-5-4-7(2)10-8/h4-5,9H,3,6H2,1-2H3
InChIKey
JJNDMNKUTSKBDH-UHFFFAOYSA-N
Compound name
N-[(5-methylfuran-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.8
[M+Na]+ 162.088938 136.6
[M-H]- 138.092444 133.3
[M+NH4]+ 157.133543 151.0
[M+K]+ 178.062878 136.5
[M+H-H2O]+ 122.096980 123.5
[M+HCOO]- 184.097921 154.7
[M+CH3COO]- 198.113571 176.3
[M+Na-2H]- 160.074386 135.8
[M]+ 139.09917142 130.6
[M]- 139.10026858 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe