CID 19102553

4-n-cyclopropylpyridine-3,4-diamine

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CC1NC2=C(C=NC=C2)N
InChI
InChI=1S/C8H11N3/c9-7-5-10-4-3-8(7)11-6-1-2-6/h3-6H,1-2,9H2,(H,10,11)
InChIKey
VPGWOWXXDKITFM-UHFFFAOYSA-N
Compound name
4-N-cyclopropylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

149.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 129.3
[M+Na]+ 172.08451 138.4
[M-H]- 148.08801 135.4
[M+NH4]+ 167.12911 143.8
[M+K]+ 188.05845 134.8
[M+H-H2O]+ 132.09255 122.0
[M+HCOO]- 194.09349 155.0
[M+CH3COO]- 208.10914 183.0
[M+Na-2H]- 170.06996 137.6
[M]+ 149.09474 128.6
[M]- 149.09584 128.6
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