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

13
Patents

151.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.3
[M+Na]+ 174.063768 140.6
[M-H]- 150.067274 132.6
[M+NH4]+ 169.108373 148.2
[M+K]+ 190.037708 140.2
[M+H-H2O]+ 134.071810 117.1
[M+HCOO]- 196.072751 149.8
[M+CH3COO]- 210.088401 191.1
[M+Na-2H]- 172.049216 134.5
[M]+ 151.07400142 125.7
[M]- 151.07509858 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