CID 138039887

2241131-10-0

Structural Information

Molecular Formula
C5H7ClN2O
SMILES
C1=C(ON=C1CCl)CN
InChI
InChI=1S/C5H7ClN2O/c6-2-4-1-5(3-7)9-8-4/h1H,2-3,7H2
InChIKey
UAHLZAAJIRLYOE-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.02469 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03197 126.8
[M+Na]+ 169.01391 136.6
[M-H]- 145.01741 129.4
[M+NH4]+ 164.05851 147.8
[M+K]+ 184.98785 134.7
[M+H-H2O]+ 129.02195 121.4
[M+HCOO]- 191.02289 147.0
[M+CH3COO]- 205.03854 173.0
[M+Na-2H]- 166.99936 133.6
[M]+ 146.02414 128.7
[M]- 146.02524 128.7
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.