CID 211068

22169-32-0

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN)C#N)C
InChI
InChI=1S/C14H18N2O/c1-13(2)11-6-3-4-7-12(11)14(10-16,17-13)8-5-9-15/h3-4,6-7H,5,8-9,15H2,1-2H3
InChIKey
ULRZXLPKDLHYEP-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-3,3-dimethyl-2-benzofuran-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 150.6
[M+Na]+ 253.13112 161.2
[M+NH4]+ 248.17572 158.2
[M+K]+ 269.10506 150.1
[M-H]- 229.13462 146.8
[M+Na-2H]- 251.11657 155.0
[M]+ 230.14135 150.5
[M]- 230.14245 150.5
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.