CID 22252

Butyroguanamine

Structural Information

Molecular Formula
C6H11N5
SMILES
CCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C6H11N5/c1-2-3-4-9-5(7)11-6(8)10-4/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKey
NGYGUYRBWLUDRP-UHFFFAOYSA-N
Compound name
6-propyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

302
Patents

153.10144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 133.4
[M+Na]+ 176.090658 142.6
[M-H]- 152.094164 132.7
[M+NH4]+ 171.135263 150.0
[M+K]+ 192.064598 139.9
[M+H-H2O]+ 136.098700 125.5
[M+HCOO]- 198.099641 155.8
[M+CH3COO]- 212.115291 181.3
[M+Na-2H]- 174.076106 140.5
[M]+ 153.10089142 131.1
[M]- 153.10198858 131.1
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