CID 69850156

2228301-30-0

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(C(CC1N)CC(=O)OC)C
InChI
InChI=1S/C9H17NO2/c1-9(2)6(4-7(9)10)5-8(11)12-3/h6-7H,4-5,10H2,1-3H3
InChIKey
KAGAVYWDCRKZEB-UHFFFAOYSA-N
Compound name
methyl 2-(3-amino-2,2-dimethylcyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

171.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.7
[M+Na]+ 194.115148 146.5
[M-H]- 170.118654 144.1
[M+NH4]+ 189.159753 156.4
[M+K]+ 210.089088 149.1
[M+H-H2O]+ 154.123190 131.5
[M+HCOO]- 216.124131 161.6
[M+CH3COO]- 230.139781 186.7
[M+Na-2H]- 192.100596 143.3
[M]+ 171.12538142 149.3
[M]- 171.12647858 149.3
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

patents stripe