CID 83226122

Tert-butyl 2-aminohex-4-ynoate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC#CCC(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H17NO2/c1-5-6-7-8(11)9(12)13-10(2,3)4/h8H,7,11H2,1-4H3
InChIKey
RVSLRNRHIPCENO-UHFFFAOYSA-N
Compound name
tert-butyl 2-aminohex-4-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 146.2
[M+Na]+ 206.11515 153.7
[M-H]- 182.11865 145.4
[M+NH4]+ 201.15975 163.7
[M+K]+ 222.08909 152.9
[M+H-H2O]+ 166.12319 135.5
[M+HCOO]- 228.12413 161.0
[M+CH3COO]- 242.13978 192.5
[M+Na-2H]- 204.10060 147.8
[M]+ 183.12538 141.3
[M]- 183.12648 141.3
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

No patent data available for this compound.