CID 95730647

2416218-44-3

Structural Information

Molecular Formula
C9H15N3
SMILES
CN1C=CN=C1C[C@@H]2CCCN2
InChI
InChI=1S/C9H15N3/c1-12-6-5-11-9(12)7-8-3-2-4-10-8/h5-6,8,10H,2-4,7H2,1H3/t8-/m0/s1
InChIKey
XSIFJWVIGIKOQY-QMMMGPOBSA-N
Compound name
1-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 137.6
[M+Na]+ 188.115818 144.6
[M-H]- 164.119324 138.8
[M+NH4]+ 183.160423 156.8
[M+K]+ 204.089758 142.1
[M+H-H2O]+ 148.123860 129.2
[M+HCOO]- 210.124801 156.8
[M+CH3COO]- 224.140451 149.7
[M+Na-2H]- 186.101266 139.6
[M]+ 165.12605142 133.7
[M]- 165.12714858 133.7
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.