CID 89589392

874336-44-4

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)(C)OC(=O)[C@H](C1CC1)N
InChI
InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7(10)6-4-5-6/h6-7H,4-5,10H2,1-3H3/t7-/m0/s1
InChIKey
KCUQSNWLGMSEOQ-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-amino-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

171.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 137.7
[M+Na]+ 194.11515 145.2
[M-H]- 170.11865 141.8
[M+NH4]+ 189.15975 153.0
[M+K]+ 210.08909 143.8
[M+H-H2O]+ 154.12319 132.3
[M+HCOO]- 216.12413 158.6
[M+CH3COO]- 230.13978 185.7
[M+Na-2H]- 192.10060 141.5
[M]+ 171.12538 139.9
[M]- 171.12648 139.9
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