CID 9793734

[(1s,2s)-2-aminocyclopentyl]methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
C1C[C@@H]([C@H](C1)N)CO
InChI
InChI=1S/C6H13NO/c7-6-3-1-2-5(6)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKey
JFLVVCGMJYMWML-RITPCOANSA-N
Compound name
[(1S,2S)-2-aminocyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

115.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.2
[M+Na]+ 138.088938 130.3
[M-H]- 114.092444 125.7
[M+NH4]+ 133.133543 147.4
[M+K]+ 154.062878 128.9
[M+H-H2O]+ 98.096980 119.3
[M+HCOO]- 160.097921 146.6
[M+CH3COO]- 174.113571 167.7
[M+Na-2H]- 136.074386 127.8
[M]+ 115.09917142 118.9
[M]- 115.10026858 118.9
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

patents stripe