CID 34083

S-triazine, 4,6-diamino-2-isobutoxy-

Structural Information

Molecular Formula
C7H13N5O
SMILES
CC(C)COC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H13N5O/c1-4(2)3-13-7-11-5(8)10-6(9)12-7/h4H,3H2,1-2H3,(H4,8,9,10,11,12)
InChIKey
MAWPKLDFFYFVNF-UHFFFAOYSA-N
Compound name
6-(2-methylpropoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.11201 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11929 141.1
[M+Na]+ 206.10123 149.4
[M-H]- 182.10473 140.4
[M+NH4]+ 201.14583 156.3
[M+K]+ 222.07517 147.5
[M+H-H2O]+ 166.10927 132.8
[M+HCOO]- 228.11021 162.4
[M+CH3COO]- 242.12586 187.4
[M+Na-2H]- 204.08668 146.4
[M]+ 183.11146 139.9
[M]- 183.11256 139.9
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

No patent data available for this compound.