CID 79857937

Methyl 1-amino-2,2-dimethylcyclopentane-1-carboxylate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CCCC1(C(=O)OC)N)C
InChI
InChI=1S/C9H17NO2/c1-8(2)5-4-6-9(8,10)7(11)12-3/h4-6,10H2,1-3H3
InChIKey
ZSTBQEDRGMPDPM-UHFFFAOYSA-N
Compound name
methyl 1-amino-2,2-dimethylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 136.7
[M+Na]+ 194.11515 143.9
[M-H]- 170.11865 140.0
[M+NH4]+ 189.15975 162.3
[M+K]+ 210.08909 143.4
[M+H-H2O]+ 154.12319 133.4
[M+HCOO]- 216.12413 159.0
[M+CH3COO]- 230.13978 180.1
[M+Na-2H]- 192.10060 140.7
[M]+ 171.12538 135.1
[M]- 171.12648 135.1
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.