CID 80134474

1807940-86-8

Structural Information

Molecular Formula
C11H12N2
SMILES
C1C(CC1N)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C11H12N2/c12-7-8-2-1-3-9(4-8)10-5-11(13)6-10/h1-4,10-11H,5-6,13H2
InChIKey
RBNRJHLUZARTOM-UHFFFAOYSA-N
Compound name
3-(3-aminocyclobutyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 135.6
[M+Na]+ 195.089268 143.5
[M-H]- 171.092774 141.0
[M+NH4]+ 190.133873 147.8
[M+K]+ 211.063208 143.8
[M+H-H2O]+ 155.097310 118.4
[M+HCOO]- 217.098251 154.6
[M+CH3COO]- 231.113901 198.0
[M+Na-2H]- 193.074716 140.1
[M]+ 172.09950142 135.6
[M]- 172.10059858 135.6
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.