CID 155820648

2460749-08-8

Structural Information

Molecular Formula
C10H11N
SMILES
C1C(C=C1C2=CC=CC=C2)N
InChI
InChI=1S/C10H11N/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-6,10H,7,11H2
InChIKey
RBJZYRVKEOUGRW-UHFFFAOYSA-N
Compound name
3-phenylcyclobut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.08914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 127.0
[M+Na]+ 168.07836 133.8
[M-H]- 144.08186 133.5
[M+NH4]+ 163.12296 141.6
[M+K]+ 184.05230 134.1
[M+H-H2O]+ 128.08640 115.7
[M+HCOO]- 190.08734 151.4
[M+CH3COO]- 204.10299 180.9
[M+Na-2H]- 166.06381 134.1
[M]+ 145.08859 133.2
[M]- 145.08969 133.2
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.