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]+ 158.117556 134.5
[M+Na]+ 180.099498 138.5
[M-H]- 156.103004 137.4
[M+NH4]+ 175.144103 144.1
[M+K]+ 196.073438 141.9
[M+H-H2O]+ 140.107540 122.8
[M+HCOO]- 202.108481 150.7
[M+CH3COO]- 216.124131 186.6
[M+Na-2H]- 178.084946 139.4
[M]+ 157.10973142 146.6
[M]- 157.11082858 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.