CID 18602

6-butyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C7H13N5
SMILES
CCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H13N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2-4H2,1H3,(H4,8,9,10,11,12)
InChIKey
FMKJZXVUCJWIIV-UHFFFAOYSA-N
Compound name
6-butyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

436
Patents

167.1171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.124376 137.8
[M+Na]+ 190.106318 146.5
[M-H]- 166.109824 137.0
[M+NH4]+ 185.150923 153.8
[M+K]+ 206.080258 143.6
[M+H-H2O]+ 150.114360 129.6
[M+HCOO]- 212.115301 159.9
[M+CH3COO]- 226.130951 184.3
[M+Na-2H]- 188.091766 144.4
[M]+ 167.11655142 135.9
[M]- 167.11764858 135.9
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