CID 146150486

2416237-02-8

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC2(C1)C(CC2C(=O)O)CN
InChI
InChI=1S/C9H15NO2/c10-5-6-4-7(8(11)12)9(6)2-1-3-9/h6-7H,1-5,10H2,(H,11,12)
InChIKey
WANCAGGUECTWFX-UHFFFAOYSA-N
Compound name
1-(aminomethyl)spiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 136.0
[M+Na]+ 192.099498 138.9
[M-H]- 168.103004 139.5
[M+NH4]+ 187.144103 143.8
[M+K]+ 208.073438 143.2
[M+H-H2O]+ 152.107540 122.3
[M+HCOO]- 214.108481 152.5
[M+CH3COO]- 228.124131 191.7
[M+Na-2H]- 190.084946 138.8
[M]+ 169.10973142 148.4
[M]- 169.11082858 148.4
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.