CID 54594018

[5-(propan-2-yl)-1,3-oxazol-2-yl]methanamine

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)C1=CN=C(O1)CN
InChI
InChI=1S/C7H12N2O/c1-5(2)6-4-9-7(3-8)10-6/h4-5H,3,8H2,1-2H3
InChIKey
PSQPSAHNRDTZON-UHFFFAOYSA-N
Compound name
(5-propan-2-yl-1,3-oxazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.7
[M+Na]+ 163.08418 137.7
[M-H]- 139.08768 132.4
[M+NH4]+ 158.12878 150.2
[M+K]+ 179.05812 137.8
[M+H-H2O]+ 123.09222 123.5
[M+HCOO]- 185.09316 153.0
[M+CH3COO]- 199.10881 176.0
[M+Na-2H]- 161.06963 134.8
[M]+ 140.09441 130.0
[M]- 140.09551 130.0
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.