CID 229022

Nsc22368

Structural Information

Molecular Formula
C12H23N3
SMILES
CC1=C(C(=C(N1)C)CN(C)C)CN(C)C
InChI
InChI=1S/C12H23N3/c1-9-11(7-14(3)4)12(8-15(5)6)10(2)13-9/h13H,7-8H2,1-6H3
InChIKey
IWCTUQVJGXUFIL-UHFFFAOYSA-N
Compound name
1-[4-[(dimethylamino)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

209.1892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.19648 152.1
[M+Na]+ 232.17842 159.1
[M-H]- 208.18192 156.2
[M+NH4]+ 227.22302 172.3
[M+K]+ 248.15236 158.3
[M+H-H2O]+ 192.18646 145.0
[M+HCOO]- 254.18740 176.6
[M+CH3COO]- 268.20305 200.7
[M+Na-2H]- 230.16387 153.0
[M]+ 209.18865 154.5
[M]- 209.18975 154.5
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