CID 54593350

1-(furan-2-yl)-2,2-dimethylpropan-1-amine

Structural Information

Molecular Formula
C9H15NO
SMILES
CC(C)(C)C(C1=CC=CO1)N
InChI
InChI=1S/C9H15NO/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6,8H,10H2,1-3H3
InChIKey
NWBISWZGDOEFBC-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

153.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 134.8
[M+Na]+ 176.10459 141.5
[M-H]- 152.10809 138.7
[M+NH4]+ 171.14919 156.0
[M+K]+ 192.07853 141.7
[M+H-H2O]+ 136.11263 129.8
[M+HCOO]- 198.11357 157.2
[M+CH3COO]- 212.12922 178.0
[M+Na-2H]- 174.09004 140.4
[M]+ 153.11482 134.4
[M]- 153.11592 134.4
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