CID 146049813

2742913-96-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC2(C1)[C@H](C[C@]2(CO)N)O
InChI
InChI=1S/C8H15NO2/c9-8(5-10)4-6(11)7(8)2-1-3-7/h6,10-11H,1-5,9H2/t6-,8+/m0/s1
InChIKey
KVVUJNLAWXARNO-POYBYMJQSA-N
Compound name
(1S,3S)-3-amino-3-(hydroxymethyl)spiro[3.3]heptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.5
[M+Na]+ 180.09950 138.5
[M-H]- 156.10300 137.4
[M+NH4]+ 175.14410 144.1
[M+K]+ 196.07344 141.9
[M+H-H2O]+ 140.10754 122.8
[M+HCOO]- 202.10848 150.7
[M+CH3COO]- 216.12413 186.6
[M+Na-2H]- 178.08495 139.4
[M]+ 157.10973 146.6
[M]- 157.11083 146.6
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.