CID 45095844

41808-54-2

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC(C)C1=C(C(=NO1)N)C#N
InChI
InChI=1S/C7H9N3O/c1-4(2)6-5(3-8)7(9)10-11-6/h4H,1-2H3,(H2,9,10)
InChIKey
CHFFAKWAHBVPJG-UHFFFAOYSA-N
Compound name
3-amino-5-propan-2-yl-1,2-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.3
[M+Na]+ 174.06377 140.6
[M-H]- 150.06727 132.6
[M+NH4]+ 169.10837 148.2
[M+K]+ 190.03771 140.2
[M+H-H2O]+ 134.07181 117.1
[M+HCOO]- 196.07275 149.8
[M+CH3COO]- 210.08840 191.1
[M+Na-2H]- 172.04922 134.5
[M]+ 151.07400 125.7
[M]- 151.07510 125.7
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

patents stripe