CID 146049144

2411265-25-1

Structural Information

Molecular Formula
C4H6ClN3O
SMILES
C(C1=NC(=NO1)CCl)N
InChI
InChI=1S/C4H6ClN3O/c5-1-3-7-4(2-6)9-8-3/h1-2,6H2
InChIKey
KSLBWQPNJRHUPB-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.01994 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02722 126.1
[M+Na]+ 170.00916 136.2
[M-H]- 146.01266 127.4
[M+NH4]+ 165.05376 145.7
[M+K]+ 185.98310 134.6
[M+H-H2O]+ 130.01720 119.7
[M+HCOO]- 192.01814 145.2
[M+CH3COO]- 206.03379 172.8
[M+Na-2H]- 167.99461 133.2
[M]+ 147.01939 128.1
[M]- 147.02049 128.1
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.