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]+ 173.10733 135.6
[M+Na]+ 195.08927 143.5
[M-H]- 171.09277 141.0
[M+NH4]+ 190.13387 147.8
[M+K]+ 211.06321 143.8
[M+H-H2O]+ 155.09731 118.4
[M+HCOO]- 217.09825 154.6
[M+CH3COO]- 231.11390 198.0
[M+Na-2H]- 193.07472 140.1
[M]+ 172.09950 135.6
[M]- 172.10060 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.