CID 32856

2,4-diamino-6-butoxy-s-triazine

Structural Information

Molecular Formula
C7H13N5O
SMILES
CCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H13N5O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3,(H4,8,9,10,11,12)
InChIKey
ATQMBWVDBCGSQC-UHFFFAOYSA-N
Compound name
6-butoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

510
Patents

183.11201 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11929 140.4
[M+Na]+ 206.10123 148.9
[M-H]- 182.10473 139.5
[M+NH4]+ 201.14583 155.6
[M+K]+ 222.07517 146.6
[M+H-H2O]+ 166.10927 132.0
[M+HCOO]- 228.11021 162.7
[M+CH3COO]- 242.12586 186.5
[M+Na-2H]- 204.08668 147.0
[M]+ 183.11146 139.8
[M]- 183.11256 139.8
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