CID 10103168

Vuf-5296

Structural Information

Molecular Formula
C6H9N3
SMILES
C1[C@H]([C@@H]1N)C2=CN=CN2
InChI
InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
InChIKey
OWWNABDDYQLERE-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-2-(1H-imidazol-5-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

123.07965 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 125.2
[M+Na]+ 146.068868 135.6
[M-H]- 122.072374 128.8
[M+NH4]+ 141.113473 140.7
[M+K]+ 162.042808 131.4
[M+H-H2O]+ 106.076910 118.1
[M+HCOO]- 168.077851 148.3
[M+CH3COO]- 182.093501 138.5
[M+Na-2H]- 144.054316 131.1
[M]+ 123.07910142 123.8
[M]- 123.08019858 123.8
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