CID 58278370

Tert-butyl 2-(aminomethyl)-4-methylpentanoate

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(C)CC(CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO2/c1-8(2)6-9(7-12)10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3
InChIKey
CXGQRBFVHKDJJK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 151.4
[M+Na]+ 224.162098 155.9
[M-H]- 200.165604 150.8
[M+NH4]+ 219.206703 170.3
[M+K]+ 240.136038 156.2
[M+H-H2O]+ 184.170140 146.5
[M+HCOO]- 246.171081 170.2
[M+CH3COO]- 260.186731 191.0
[M+Na-2H]- 222.147546 151.9
[M]+ 201.17233142 152.3
[M]- 201.17342858 152.3
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