CID 131071267

1850829-23-0

Structural Information

Molecular Formula
C7H13N3O
SMILES
CN(C)CC1=NC(=CO1)CN
InChI
InChI=1S/C7H13N3O/c1-10(2)4-7-9-6(3-8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKey
XLYZRTVNKRYLPM-UHFFFAOYSA-N
Compound name
[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 133.3
[M+Na]+ 178.09509 140.8
[M-H]- 154.09859 137.5
[M+NH4]+ 173.13969 153.5
[M+K]+ 194.06903 141.8
[M+H-H2O]+ 138.10313 126.3
[M+HCOO]- 200.10407 159.1
[M+CH3COO]- 214.11972 183.6
[M+Na-2H]- 176.08054 139.2
[M]+ 155.10532 134.8
[M]- 155.10642 134.8
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.