CID 53441418

889941-89-3

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CCCC1(C(=O)O)N)C
InChI
InChI=1S/C8H15NO2/c1-7(2)4-3-5-8(7,9)6(10)11/h3-5,9H2,1-2H3,(H,10,11)
InChIKey
YNONXTJHHDSTPN-UHFFFAOYSA-N
Compound name
1-amino-2,2-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 133.0
[M+Na]+ 180.099498 140.2
[M-H]- 156.103004 135.1
[M+NH4]+ 175.144103 158.4
[M+K]+ 196.073438 139.0
[M+H-H2O]+ 140.107540 130.1
[M+HCOO]- 202.108481 154.1
[M+CH3COO]- 216.124131 175.2
[M+Na-2H]- 178.084946 137.1
[M]+ 157.10973142 129.3
[M]- 157.11082858 129.3
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.