CID 10654236

2751610-51-0

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC12CC2(C(=O)O)N
InChI
InChI=1S/C6H9NO2/c7-6(4(8)9)3-5(6)1-2-5/h1-3,7H2,(H,8,9)
InChIKey
JVQYREJHQUMPGF-UHFFFAOYSA-N
Compound name
2-aminospiro[2.2]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

127.06333 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 136.9
[M+Na]+ 150.052548 145.3
[M-H]- 126.056054 142.5
[M+NH4]+ 145.097153 149.8
[M+K]+ 166.026488 145.6
[M+H-H2O]+ 110.060590 134.6
[M+HCOO]- 172.061531 155.2
[M+CH3COO]- 186.077181 184.0
[M+Na-2H]- 148.037996 142.5
[M]+ 127.06278142 139.6
[M]- 127.06387858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe