CID 10607312

Tert-butyl 5-aminopentanoate hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(C)OC(=O)CCCCN
InChI
InChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7,10H2,1-3H3
InChIKey
ZJUJPZBBBNJPTI-UHFFFAOYSA-N
Compound name
tert-butyl 5-aminopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

173.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.4
[M+Na]+ 196.13081 148.2
[M-H]- 172.13431 142.0
[M+NH4]+ 191.17541 162.5
[M+K]+ 212.10475 148.0
[M+H-H2O]+ 156.13885 137.6
[M+HCOO]- 218.13979 163.8
[M+CH3COO]- 232.15544 183.2
[M+Na-2H]- 194.11626 146.4
[M]+ 173.14104 143.9
[M]- 173.14214 143.9
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