CID 206833

Brn 0749174

Structural Information

Molecular Formula
C14H19N3
SMILES
CN(C)CC1=CN2CCNCC3=C2C1=CC=C3
InChI
InChI=1S/C14H19N3/c1-16(2)9-12-10-17-7-6-15-8-11-4-3-5-13(12)14(11)17/h3-5,10,15H,6-9H2,1-2H3
InChIKey
LMCHXRDFLXWUDM-UHFFFAOYSA-N
Compound name
1-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 152.4
[M+Na]+ 252.147118 159.4
[M-H]- 228.150624 156.2
[M+NH4]+ 247.191723 171.0
[M+K]+ 268.121058 158.8
[M+H-H2O]+ 212.155160 145.2
[M+HCOO]- 274.156101 171.5
[M+CH3COO]- 288.171751 164.0
[M+Na-2H]- 250.132566 158.3
[M]+ 229.15735142 150.5
[M]- 229.15844858 150.5
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.