CID 134690943

1-(cyclopropylmethyl)-2-(3,3-dimethylazetidin-2-yl)-1h-imidazole

Structural Information

Molecular Formula
C12H19N3
SMILES
CC1(CNC1C2=NC=CN2CC3CC3)C
InChI
InChI=1S/C12H19N3/c1-12(2)8-14-10(12)11-13-5-6-15(11)7-9-3-4-9/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKey
FVOXWCLJSGPPHK-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2-(3,3-dimethylazetidin-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 151.6
[M+Na]+ 228.14712 160.2
[M-H]- 204.15062 156.7
[M+NH4]+ 223.19172 159.2
[M+K]+ 244.12106 158.6
[M+H-H2O]+ 188.15516 139.7
[M+HCOO]- 250.15610 169.2
[M+CH3COO]- 264.17175 190.8
[M+Na-2H]- 226.13257 154.3
[M]+ 205.15735 160.4
[M]- 205.15845 160.4
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.