CID 151918

N,n,5-trimethylfurfurylamine

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1=CC=C(O1)CN(C)C
InChI
InChI=1S/C8H13NO/c1-7-4-5-8(10-7)6-9(2)3/h4-5H,6H2,1-3H3
InChIKey
IYULRWBZWXMBGW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-methylfuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

193
Patents

139.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.9
[M+Na]+ 162.08894 136.9
[M-H]- 138.09244 135.0
[M+NH4]+ 157.13354 151.8
[M+K]+ 178.06288 138.3
[M+H-H2O]+ 122.09698 123.5
[M+HCOO]- 184.09792 155.3
[M+CH3COO]- 198.11357 179.8
[M+Na-2H]- 160.07439 135.2
[M]+ 139.09917 132.1
[M]- 139.10027 132.1
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