CID 4310329

1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CC(C)(C)C(CN1C=CN=C1)N
InChI
InChI=1S/C9H17N3/c1-9(2,3)8(10)6-12-5-4-11-7-12/h4-5,7-8H,6,10H2,1-3H3
InChIKey
LBMYOBPKNFXLIA-UHFFFAOYSA-N
Compound name
1-imidazol-1-yl-3,3-dimethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

167.14224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 140.2
[M+Na]+ 190.131458 147.0
[M-H]- 166.134964 140.7
[M+NH4]+ 185.176063 159.5
[M+K]+ 206.105398 145.7
[M+H-H2O]+ 150.139500 133.2
[M+HCOO]- 212.140441 160.7
[M+CH3COO]- 226.156091 181.4
[M+Na-2H]- 188.116906 144.8
[M]+ 167.14169142 138.9
[M]- 167.14278858 138.9
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