CID 28063973

1-[(2r)-2-pyrrolidinylmethyl]-1h-imidazole

Structural Information

Molecular Formula
C8H13N3
SMILES
C1C[C@@H](NC1)CN2C=CN=C2
InChI
InChI=1S/C8H13N3/c1-2-8(10-3-1)6-11-5-4-9-7-11/h4-5,7-8,10H,1-3,6H2/t8-/m1/s1
InChIKey
VLNMFRPPGPXJHP-MRVPVSSYSA-N
Compound name
1-[[(2R)-pyrrolidin-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.11095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.9
[M+Na]+ 174.10017 139.4
[M-H]- 150.10367 133.8
[M+NH4]+ 169.14477 152.4
[M+K]+ 190.07411 137.3
[M+H-H2O]+ 134.10821 124.4
[M+HCOO]- 196.10915 152.5
[M+CH3COO]- 210.12480 145.1
[M+Na-2H]- 172.08562 136.1
[M]+ 151.11040 128.3
[M]- 151.11150 128.3
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