CID 23151492

2138115-73-6

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=CN=C(N1)CCl
InChI
InChI=1S/C5H7ClN2/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3,(H,7,8)
InChIKey
NCNGAOMBJPQIRJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

130.02977 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 122.5
[M+Na]+ 153.01899 135.4
[M+NH4]+ 148.06359 131.2
[M+K]+ 168.99293 130.6
[M-H]- 129.02249 122.9
[M+Na-2H]- 151.00444 128.7
[M]+ 130.02922 124.6
[M]- 130.03032 124.6
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