CID 4872791

N-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]guanidine

Structural Information

Molecular Formula
C4H6ClN5O
SMILES
C(C1=NOC(=N1)N=C(N)N)Cl
InChI
InChI=1S/C4H6ClN5O/c5-1-2-8-4(11-10-2)9-3(6)7/h1H2,(H4,6,7,8,9,10)
InChIKey
IPOXPXHQMSEBFF-UHFFFAOYSA-N
Compound name
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.0261 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03338 134.8
[M+Na]+ 198.01532 143.6
[M-H]- 174.01882 137.2
[M+NH4]+ 193.05992 152.8
[M+K]+ 213.98926 142.2
[M+H-H2O]+ 158.02336 127.3
[M+HCOO]- 220.02430 156.1
[M+CH3COO]- 234.03995 184.1
[M+Na-2H]- 196.00077 140.8
[M]+ 175.02555 134.8
[M]- 175.02665 134.8
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