CID 12572948

161119-99-9

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C)NCC1=CC=CO1
InChI
InChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKey
GAGIUQGGHJZYTE-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

139.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.2
[M+Na]+ 162.088938 136.8
[M-H]- 138.092444 134.4
[M+NH4]+ 157.133543 152.0
[M+K]+ 178.062878 137.1
[M+H-H2O]+ 122.096980 124.6
[M+HCOO]- 184.097921 155.0
[M+CH3COO]- 198.113571 176.0
[M+Na-2H]- 160.074386 136.6
[M]+ 139.09917142 131.0
[M]- 139.10026858 131.0
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

patents stripe