CID 62272126

2580210-89-3

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN(C)CC1(CCCC1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-10(2)7-9(8(11)12)5-3-4-6-9/h3-7H2,1-2H3,(H,11,12)
InChIKey
REFRZUUHXLSISQ-UHFFFAOYSA-N
Compound name
1-[(dimethylamino)methyl]cyclopentane-1-carboxylic acid
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 139.5
[M+Na]+ 194.11515 144.4
[M-H]- 170.11865 142.6
[M+NH4]+ 189.15975 162.9
[M+K]+ 210.08909 144.6
[M+H-H2O]+ 154.12319 134.7
[M+HCOO]- 216.12413 161.4
[M+CH3COO]- 230.13978 181.4
[M+Na-2H]- 192.10060 142.5
[M]+ 171.12538 137.6
[M]- 171.12648 137.6
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.