CID 165745551

Mfcd35251203

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC2(C1)[C@H](C[C@H]2N)CC(=O)O
InChI
InChI=1S/C9H15NO2/c10-7-4-6(5-8(11)12)9(7)2-1-3-9/h6-7H,1-5,10H2,(H,11,12)/t6-,7-/m1/s1
InChIKey
QROHPVVHCDYBCV-RNFRBKRXSA-N
Compound name
2-[(1R,3R)-3-aminospiro[3.3]heptan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.0
[M+Na]+ 192.09950 138.9
[M-H]- 168.10300 139.5
[M+NH4]+ 187.14410 143.8
[M+K]+ 208.07344 143.2
[M+H-H2O]+ 152.10754 122.3
[M+HCOO]- 214.10848 152.5
[M+CH3COO]- 228.12413 191.7
[M+Na-2H]- 190.08495 138.8
[M]+ 169.10973 148.4
[M]- 169.11083 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.