CID 64906062

1339410-40-0

Structural Information

Molecular Formula
C11H12N2
SMILES
C1C(CC1(C#N)C2=CC=CC=C2)N
InChI
InChI=1S/C11H12N2/c12-8-11(6-10(13)7-11)9-4-2-1-3-5-9/h1-5,10H,6-7,13H2
InChIKey
YQZXRJCLBUVOIV-UHFFFAOYSA-N
Compound name
3-amino-1-phenylcyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 137.9
[M+Na]+ 195.08927 146.2
[M-H]- 171.09277 143.5
[M+NH4]+ 190.13387 151.7
[M+K]+ 211.06321 145.8
[M+H-H2O]+ 155.09731 121.5
[M+HCOO]- 217.09825 157.0
[M+CH3COO]- 231.11390 196.6
[M+Na-2H]- 193.07472 143.8
[M]+ 172.09950 137.9
[M]- 172.10060 137.9
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.