CID 68016739

2408938-49-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN(C)[C@@H]1CC[C@@H](C1)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-9(2)7-4-3-6(5-7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m0/s1
InChIKey
ZCZVRQGVVGUGAY-NKWVEPMBSA-N
Compound name
(1S,3R)-3-(dimethylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

157.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.2
[M+Na]+ 180.09950 140.5
[M-H]- 156.10300 138.5
[M+NH4]+ 175.14410 157.4
[M+K]+ 196.07344 140.8
[M+H-H2O]+ 140.10754 129.8
[M+HCOO]- 202.10848 157.4
[M+CH3COO]- 216.12413 180.0
[M+Na-2H]- 178.08495 136.8
[M]+ 157.10973 132.9
[M]- 157.11083 132.9
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