CID 84075107

2418713-18-3

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C1CCC1)(C(=O)OC)N
InChI
InChI=1S/C8H15NO2/c1-8(9,7(10)11-2)6-4-3-5-6/h6H,3-5,9H2,1-2H3
InChIKey
VRFARTFOIVGIEP-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-cyclobutylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.0
[M+Na]+ 180.099498 140.0
[M-H]- 156.103004 138.8
[M+NH4]+ 175.144103 149.7
[M+K]+ 196.073438 143.2
[M+H-H2O]+ 140.107540 125.6
[M+HCOO]- 202.108481 155.8
[M+CH3COO]- 216.124131 182.3
[M+Na-2H]- 178.084946 140.1
[M]+ 157.10973142 142.8
[M]- 157.11082858 142.8
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.