CID 42597348

145193-96-0

Structural Information

Molecular Formula
C16H18N
SMILES
CCCC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C
InChI
InChI=1S/C16H18N/c1-3-4-11-17-12(2)14-9-5-7-13-8-6-10-15(17)16(13)14/h5-10H,3-4,11H2,1-2H3/q+1
InChIKey
REWNPMUUSQLHDJ-UHFFFAOYSA-N
Compound name
1-butyl-2-methylbenzo[cd]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.14392 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.151196 154.5
[M+Na]+ 247.133138 164.3
[M-H]- 223.136644 158.6
[M+NH4]+ 242.177743 176.1
[M+K]+ 263.107078 153.8
[M+H-H2O]+ 207.141180 150.4
[M+HCOO]- 269.142121 175.7
[M+CH3COO]- 283.157771 188.2
[M+Na-2H]- 245.118586 162.8
[M]+ 224.14337142 157.5
[M]- 224.14446858 157.5
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

patents stripe