CID 392980

Nsc694222

Structural Information

Molecular Formula
C7H14N4O
SMILES
CCCCCNC1=NON=C1N
InChI
InChI=1S/C7H14N4O/c1-2-3-4-5-9-7-6(8)10-12-11-7/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKey
ZGNGVWAGEYCMLK-UHFFFAOYSA-N
Compound name
3-N-pentyl-1,2,5-oxadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.11676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12404 136.8
[M+Na]+ 193.10598 144.1
[M-H]- 169.10948 137.9
[M+NH4]+ 188.15058 154.3
[M+K]+ 209.07992 143.5
[M+H-H2O]+ 153.11402 128.8
[M+HCOO]- 215.11496 160.8
[M+CH3COO]- 229.13061 183.0
[M+Na-2H]- 191.09143 143.4
[M]+ 170.11621 137.5
[M]- 170.11731 137.5
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.