CID 155973679

En300-28243837

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1CC2(CCC1C(=O)O)CC(C2)CN
InChI
InChI=1S/C11H19NO2/c12-7-8-5-11(6-8)3-1-9(2-4-11)10(13)14/h8-9H,1-7,12H2,(H,13,14)
InChIKey
JXFCBGJGUHEPBT-UHFFFAOYSA-N
Compound name
2-(aminomethyl)spiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 145.9
[M+Na]+ 220.13081 148.7
[M-H]- 196.13431 148.8
[M+NH4]+ 215.17541 159.5
[M+K]+ 236.10475 149.7
[M+H-H2O]+ 180.13885 135.6
[M+HCOO]- 242.13979 162.0
[M+CH3COO]- 256.15544 186.7
[M+Na-2H]- 218.11626 148.1
[M]+ 197.14104 147.4
[M]- 197.14214 147.4
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.