CID 67373714

Tert-butyl 4-(aminomethyl)-1,2,3,6-tetrahydropyridine-1-carboxylate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(=CC1)CN
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h4H,5-8,12H2,1-3H3
InChIKey
JUNBPSANVJHLJD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

212.15248 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 151.1
[M+Na]+ 235.14170 156.4
[M-H]- 211.14520 152.4
[M+NH4]+ 230.18630 168.3
[M+K]+ 251.11564 155.3
[M+H-H2O]+ 195.14974 144.7
[M+HCOO]- 257.15068 169.4
[M+CH3COO]- 271.16633 188.4
[M+Na-2H]- 233.12715 154.4
[M]+ 212.15193 148.9
[M]- 212.15303 148.9
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

patents stripe