CID 52203126

{1-[(dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl}methanamine

Structural Information

Molecular Formula
C12H21N3O
SMILES
CC1=C(OC(=N1)CN2CCC(CC2)CN)C
InChI
InChI=1S/C12H21N3O/c1-9-10(2)16-12(14-9)8-15-5-3-11(7-13)4-6-15/h11H,3-8,13H2,1-2H3
InChIKey
SUJAAXWRRAOFGE-UHFFFAOYSA-N
Compound name
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.16846 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.17574 154.3
[M+Na]+ 246.15768 160.6
[M-H]- 222.16118 158.1
[M+NH4]+ 241.20228 170.1
[M+K]+ 262.13162 158.7
[M+H-H2O]+ 206.16572 146.0
[M+HCOO]- 268.16666 172.8
[M+CH3COO]- 282.18231 192.0
[M+Na-2H]- 244.14313 155.6
[M]+ 223.16791 151.7
[M]- 223.16901 151.7
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

No patent data available for this compound.