CID 12451445

Tert-butyl 2-aminohexanoate

Structural Information

Molecular Formula
C10H21NO2
SMILES
CCCCC(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H21NO2/c1-5-6-7-8(11)9(12)13-10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKey
CZROWHOGJRLBIE-UHFFFAOYSA-N
Compound name
tert-butyl 2-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

187.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.16451 147.0
[M+Na]+ 210.14645 152.2
[M-H]- 186.14995 146.5
[M+NH4]+ 205.19105 166.5
[M+K]+ 226.12039 152.2
[M+H-H2O]+ 170.15449 142.2
[M+HCOO]- 232.15543 167.1
[M+CH3COO]- 246.17108 187.1
[M+Na-2H]- 208.13190 149.3
[M]+ 187.15668 148.2
[M]- 187.15778 148.2
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