CID 68069

Julolidine

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2=C3C(=CC=C2)CCCN3C1
InChI
InChI=1S/C12H15N/c1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13/h1,4-5H,2-3,6-9H2
InChIKey
DZFWNZJKBJOGFQ-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

5876
Patents

173.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 136.6
[M+Na]+ 196.109668 142.2
[M-H]- 172.113174 138.7
[M+NH4]+ 191.154273 157.5
[M+K]+ 212.083608 138.7
[M+H-H2O]+ 156.117710 129.2
[M+HCOO]- 218.118651 152.8
[M+CH3COO]- 232.134301 148.4
[M+Na-2H]- 194.095116 145.1
[M]+ 173.11990142 131.9
[M]- 173.12099858 131.9
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