CID 145915544

2402789-83-5

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)([C@@H](C1CC1)N)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-9(2,8(11)12-3)7(10)6-4-5-6/h6-7H,4-5,10H2,1-3H3/t7-/m1/s1
InChIKey
SMXBVUPVPLXXMS-SSDOTTSWSA-N
Compound name
methyl (3R)-3-amino-3-cyclopropyl-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 137.4
[M+Na]+ 194.115148 144.9
[M-H]- 170.118654 141.6
[M+NH4]+ 189.159753 152.7
[M+K]+ 210.089088 143.4
[M+H-H2O]+ 154.123190 132.1
[M+HCOO]- 216.124131 158.4
[M+CH3COO]- 230.139781 186.3
[M+Na-2H]- 192.100596 141.3
[M]+ 171.12538142 139.8
[M]- 171.12647858 139.8
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.