CID 12370456

1005-19-2

Structural Information

Molecular Formula
C9H11N
SMILES
C1C(C2=CC=CC=C21)CN
InChI
InChI=1S/C9H11N/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8H,5-6,10H2
InChIKey
UOQNRKZMXTYCNA-UHFFFAOYSA-N
Compound name
7-bicyclo[4.2.0]octa-1,3,5-trienylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

133.08914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 124.1
[M+Na]+ 156.078358 131.2
[M-H]- 132.081864 128.4
[M+NH4]+ 151.122963 140.4
[M+K]+ 172.052298 131.8
[M+H-H2O]+ 116.086400 113.7
[M+HCOO]- 178.087341 147.1
[M+CH3COO]- 192.102991 179.7
[M+Na-2H]- 154.063806 132.3
[M]+ 133.08859142 131.2
[M]- 133.08968858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe