CID 103445

65719-14-4

Structural Information

Molecular Formula
C16H23N2
SMILES
CC[N+]1=C(CCC1)C=CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H23N2/c1-4-18-13-5-6-16(18)12-9-14-7-10-15(11-8-14)17(2)3/h7-12H,4-6,13H2,1-3H3/q+1
InChIKey
PVQTZPNRLHMOSB-UHFFFAOYSA-N
Compound name
4-[2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.18613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19341 161.1
[M+Na]+ 266.17535 167.1
[M-H]- 242.17885 167.7
[M+NH4]+ 261.21995 179.3
[M+K]+ 282.14929 158.3
[M+H-H2O]+ 226.18339 155.6
[M+HCOO]- 288.18433 184.3
[M+CH3COO]- 302.19998 193.2
[M+Na-2H]- 264.16080 165.0
[M]+ 243.18558 160.0
[M]- 243.18668 160.0
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.