CID 68016739

(1r,3s)-3-(dimethylamino)cyclopentane-1-carboxylic acid hydrochloride

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
cis-(1S,3R)-3-(dimethylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.2
[M+Na]+ 180.099498 140.5
[M-H]- 156.103004 138.5
[M+NH4]+ 175.144103 157.4
[M+K]+ 196.073438 140.8
[M+H-H2O]+ 140.107540 129.8
[M+HCOO]- 202.108481 157.4
[M+CH3COO]- 216.124131 180.0
[M+Na-2H]- 178.084946 136.8
[M]+ 157.10973142 132.9
[M]- 157.11082858 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