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]+ 224.175736 154.3
[M+Na]+ 246.157678 160.6
[M-H]- 222.161184 158.1
[M+NH4]+ 241.202283 170.1
[M+K]+ 262.131618 158.7
[M+H-H2O]+ 206.165720 146.0
[M+HCOO]- 268.166661 172.8
[M+CH3COO]- 282.182311 192.0
[M+Na-2H]- 244.143126 155.6
[M]+ 223.16791142 151.7
[M]- 223.16900858 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.