CID 65684

Dicarbine

Structural Information

Molecular Formula
C13H18N2
SMILES
CC1=CC2=C(C=C1)NC3C2CN(CC3)C
InChI
InChI=1S/C13H18N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,11,13-14H,5-6,8H2,1-2H3
InChIKey
CYJQCYXRNNCURD-UHFFFAOYSA-N
Compound name
2,8-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

234
References

630
Patents

202.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 147.7
[M+Na]+ 225.136218 155.5
[M-H]- 201.139724 148.6
[M+NH4]+ 220.180823 167.8
[M+K]+ 241.110158 150.5
[M+H-H2O]+ 185.144260 140.6
[M+HCOO]- 247.145201 162.9
[M+CH3COO]- 261.160851 159.1
[M+Na-2H]- 223.121666 151.3
[M]+ 202.14645142 143.3
[M]- 202.14754858 143.3
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