CID 45602021

1609407-96-6

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(C)C1=NOC(C1)CN
InChI
InChI=1S/C7H14N2O/c1-5(2)7-3-6(4-8)10-9-7/h5-6H,3-4,8H2,1-2H3
InChIKey
YGWFIJQFVZPVGH-UHFFFAOYSA-N
Compound name
(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 131.6
[M+Na]+ 165.09983 138.6
[M-H]- 141.10333 134.0
[M+NH4]+ 160.14443 151.9
[M+K]+ 181.07377 138.9
[M+H-H2O]+ 125.10787 125.4
[M+HCOO]- 187.10881 153.4
[M+CH3COO]- 201.12446 176.4
[M+Na-2H]- 163.08528 135.7
[M]+ 142.11006 130.5
[M]- 142.11116 130.5
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.